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1-Benzothiophene-3-carboxylic acid, 2-[[2-[3-(3-furanylmethyl)-4-oxo-2-thioxo-5-thiazolidinyl]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester

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1-Benzothiophene-3-carboxylic acid, 2-[[2-[3-(3-furanylmethyl)-4-oxo-2-thioxo-5-thiazolidinyl]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
SpectraBase Compound ID 3s2ykvkN9fW
InChI InChI=1S/C21H22N2O5S3/c1-2-28-20(26)17-13-5-3-4-6-14(13)30-18(17)22-16(24)9-15-19(25)23(21(29)31-15)10-12-7-8-27-11-12/h7-8,11,15H,2-6,9-10H2,1H3,(H,22,24)
InChIKey YZINTJNSHWJANX-UHFFFAOYSA-N
Mol Weight 478.6 g/mol
Molecular Formula C21H22N2O5S3
Exact Mass 478.069085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83iKKwA2Uvt
Name 1-Benzothiophene-3-carboxylic acid, 2-[[2-[3-(3-furanylmethyl)-4-oxo-2-thioxo-5-thiazolidinyl]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.069085333 u
Formula C21H22N2O5S3
InChI InChI=1S/C21H22N2O5S3/c1-2-28-20(26)17-13-5-3-4-6-14(13)30-18(17)22-16(24)9-15-19(25)23(21(29)31-15)10-12-7-8-27-11-12/h7-8,11,15H,2-6,9-10H2,1H3,(H,22,24)
InChIKey YZINTJNSHWJANX-UHFFFAOYSA-N
Molecular Weight 478.596 g/mol
SMILES CCOC(C1=C(NC(CC2C(N(C(S2)=S)CC2=COC=C2)=O)=O)SC=2CCCCC12)=O