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3,2,4-Benzothiadiazepine-1-acetic acid, 1,2,4,5-tetrahydro-7-methoxy-, ethyl ester, 3,3-dioxide

View entire compound with spectra: 2 MS (GC)

3,2,4-Benzothiadiazepine-1-acetic acid, 1,2,4,5-tetrahydro-7-methoxy-, ethyl ester, 3,3-dioxide
SpectraBase Compound ID CS4ti5pDfwe
InChI InChI=1S/C13H18N2O5S/c1-3-20-13(16)7-12-11-5-4-10(19-2)6-9(11)8-14-21(17,18)15-12/h4-6,12,14-15H,3,7-8H2,1-2H3
InChIKey AMUURAICUJYXPQ-UHFFFAOYSA-N
Mol Weight 314.36 g/mol
Molecular Formula C13H18N2O5S
Exact Mass 314.093643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExjLwrnP2p5
Name 3,2,4-Benzothiadiazepine-1-acetic acid, 1,2,4,5-tetrahydro-7-methoxy-, ethyl ester, 3,3-dioxide
CAS Registry Number 133116-82-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O5S
InChI InChI=1S/C13H18N2O5S/c1-3-20-13(16)7-12-11-5-4-10(19-2)6-9(11)8-14-21(17,18)15-12/h4-6,12,14-15H,3,7-8H2,1-2H3
InChIKey AMUURAICUJYXPQ-UHFFFAOYSA-N
Molecular Weight 314.356 g/mol
SMILES N1C(c2ccc(cc2CNS1(=O)=O)OC)CC(=O)OCC
SPLASH splash10-004j-0590000000-0ef8451ff957bef05875
Source of Spectrum Y-27-2110-25
Synonyms 2-(3,3-diketo-8-methoxy-1,2,4,5-tetrahydro-3,2,4-benzothiadiazepin-5-yl)acetic acid ethyl ester Ethyl 7-Methoxy-3,3-dioxo-1,2,4,5-tetrahydro-3,2,4-benzothiadiazepin-1-ylacetate 2-(8-Methoxy-3,3-dioxo-1,2,4,5-tetrahydro-3,2,4-benzothiadiazepin-5-yl)acetic acid ethyl ester Ethyl (7-methoxy-3,3-dioxido-1,2,4,5-tetrahydro-3,2,4-benzothiadiazepin-1-yl)acetate Ethyl 2-(8-methoxy-3,3-dioxo-1,2,4,5-tetrahydro-3,2,4-benzothiadiazepin-5-yl)acetate Ethyl 2-[8-methoxy-3,3-bis(oxidanylidene)-1,2,4,5-tetrahydro-3,2,4-benzothiadiazepin-5-yl]ethanoate Ethyl 7-methoxy-3,3-dioxo-1,2,4,5-tetrahydro-3,2,4-thiadiazepin-1-ylacetate Ethyl[7-methoxy-3,3-dioxo-1,2,4,5-tetrahydro-3,2,4-thiadiazin-1-yl]acetate 2-(8-Methoxy-3,3-dioxo-1,2,4,5-tetrahydro-3$l^{6},2,4-benzothiadiazepin-5-yl)acetic acid ethyl ester Ethyl 2-(8-methoxy-3,3-dioxo-1,2,4,5-tetrahydro-3$l^{6},2,4-benzothiadiazepin-5-yl)acetate Ethyl 2-[8-methoxy-3,3-bis(oxidanylidene)-1,2,4,5-tetrahydro-3$l^{6},2,4-benzothiadiazepin-5-yl]ethanoate
Wiley ID 1314681