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(6S,7R)-6-(3-chlorophenyl)-8-methyl-3,4,6,7-tetrahydro-2H-1,4-benzothiazine-5,7-dicarboxylic acid O5-ethyl ester O7-methyl ester

View entire compound with spectra: 1 MS (GC)

(6S,7R)-6-(3-chlorophenyl)-8-methyl-3,4,6,7-tetrahydro-2H-1,4-benzothiazine-5,7-dicarboxylic acid O5-ethyl ester O7-methyl ester
SpectraBase Compound ID 28sSsfLyMnA
InChI InChI=1S/C20H22ClNO4S/c1-4-26-20(24)16-15(12-6-5-7-13(21)10-12)14(19(23)25-3)11(2)18-17(16)22-8-9-27-18/h5-7,10,14-15,22H,4,8-9H2,1-3H3/t14-,15+/m0/s1
InChIKey DAJCKMNADNVMGI-LSDHHAIUSA-N
Mol Weight 407.91 g/mol
Molecular Formula C20H22ClNO4S
Exact Mass 407.095807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AlkF4HfNQP9
Name (6S,7R)-6-(3-chlorophenyl)-8-methyl-3,4,6,7-tetrahydro-2H-1,4-benzothiazine-5,7-dicarboxylic acid O5-ethyl ester O7-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22ClNO4S
InChI InChI=1S/C20H22ClNO4S/c1-4-26-20(24)16-15(12-6-5-7-13(21)10-12)14(19(23)25-3)11(2)18-17(16)22-8-9-27-18/h5-7,10,14-15,22H,4,8-9H2,1-3H3/t14-,15+/m0/s1
InChIKey DAJCKMNADNVMGI-LSDHHAIUSA-N
Molecular Weight 407.912 g/mol
SMILES N1CCSC2=C([C@@]([C@](C(=C12)C(=O)OCC)(c1cc(Cl)ccc1)[H])(C(=O)OC)[H])C
SPLASH splash10-0a59-0008900000-a359c5cced293ac19d35
Source of Spectrum F-55-7919-3
Synonyms 5-O-ethyl 7-O-methyl (6S,7R)-6-(3-chlorophenyl)-8-methyl-3,4,6,7-tetrahydro-2H-1,4-benzothiazine-5,7-dicarboxylate O5-ethyl O7-methyl (6S,7R)-6-(3-chlorophenyl)-8-methyl-3,4,6,7-tetrahydro-2H-1,4-benzothiazine-5,7-dicarboxylate
Wiley ID 838333