[(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(3-oxidanylidene-1H-1,2-diazepin-2-yl)ethanoate

Systemtic Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(3-oxidanylidene-1H-1,2-diazepin-2-yl)ethanoate Openeye Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(3-oxo-1H-diazepin-2-yl)acetate CAS Name: 2-(3-oxo-1H-diazepin-2-yl)acetic acid [(2-mercapto-1-oxo-3-phenylpropyl)amino] ester IUPAC Name: [(3-phenyl-2-sulfanylpropanoyl)amino] 2-(3-oxo-1H-diazepin-2-yl)acetate Traditional Name: 2-(3-keto-1H-diazepin-2-yl)acetic acid [(2-mercapto-3-phenyl-propanoyl)amino] ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NOC(=O)CN2C(=O)C=CC=CN2)S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NOC(=O)CN2C(=O)C=CC=CN2)S

InChI

InChI=1S/C16H17N3O4S/c20-14-8-4-5-9-17-19(14)11-15(21)23-18-16(22)13(24)10-12-6-2-1-3-7-12/h1-9,13,17,24H,10-11H2,(H,18,22)