[(3-phenyl-2-sulfanyl-propanoyl)amino] 2-[7-oxidanylidene-6-(phenylmethyl)-2H-azepin-1-yl]ethanoate

Systemtic Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-[7-oxidanylidene-6-(phenylmethyl)-2H-azepin-1-yl]ethanoate Openeye Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(6-benzyl-7-oxo-2H-azepin-1-yl)acetate CAS Name: 2-[7-oxo-6-(phenylmethyl)-2H-azepin-1-yl]acetic acid [(2-mercapto-1-oxo-3-phenylpropyl)amino] ester IUPAC Name: [(3-phenyl-2-sulfanylpropanoyl)amino] 2-(6-benzyl-7-oxo-2H-azepin-1-yl)acetate Traditional Name: 2-(6-benzyl-7-keto-2H-azepin-1-yl)acetic acid [(2-mercapto-3-phenyl-propanoyl)amino] ester Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(C(=O)N1CC(=O)ONC(=O)C(CC2=CC=CC=C2)S)CC3=CC=CC=C3

Isomeric SMILES

C1C=CC=C(C(=O)N1CC(=O)ONC(=O)C(CC2=CC=CC=C2)S)CC3=CC=CC=C3

InChI

InChI=1S/C24H24N2O4S/c27-22(30-25-23(28)21(31)16-19-11-5-2-6-12-19)17-26-14-8-7-13-20(24(26)29)15-18-9-3-1-4-10-18/h1-13,21,31H,14-17H2,(H,25,28)