2-[6-[(1-ethoxy-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoic acid

Systemtic Name: 2-[6-[(1-ethoxy-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl)amino]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl]ethanoic acid Openeye Name: 2-[6-[[2-ethoxy-2-oxo-1-(phenylsulfanylmethyl)ethyl]amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid CAS Name: 2-[6-[[1-ethoxy-1-oxo-3-(phenylthio)propan-2-yl]amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid IUPAC Name: 2-[6-[(1-ethoxy-1-oxo-3-phenylsulfanylpropan-2-yl)amino]-5-oxo-3-phenyl-1,4-thiazepan-4-yl]acetic acid Traditional Name: 2-[6-[[2-ethoxy-2-keto-1-[(phenylthio)methyl]ethyl]amino]-5-keto-3-phenyl-1,4-thiazepan-4-yl]acetic acid Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=CC=CC=C1)NC2CSCC(N(C2=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CSC1=CC=CC=C1)NC2CSCC(N(C2=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H28N2O5S2/c1-2-31-24(30)20(15-33-18-11-7-4-8-12-18)25-19-14-32-16-21(17-9-5-3-6-10-17)26(23(19)29)13-22(27)28/h3-12,19-21,25H,2,13-16H2,1H3,(H,27,28)