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

Systemtic Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(7-oxidanylidene-2H-azepin-1-yl)ethanoate Openeye Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(7-oxo-2H-azepin-1-yl)acetate CAS Name: 2-(7-oxo-2H-azepin-1-yl)acetic acid [(2-mercapto-1-oxo-3-phenylpropyl)amino] ester IUPAC Name: [(3-phenyl-2-sulfanylpropanoyl)amino] 2-(7-oxo-2H-azepin-1-yl)acetate Traditional Name: 2-(7-keto-2H-azepin-1-yl)acetic acid [(2-mercapto-3-phenyl-propanoyl)amino] ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c20-15-9-5-2-6-10-19(15)12-16(21)23-18-17(22)14(24)11-13-7-3-1-4-8-13/h1-9,14,24H,10-12H2,(H,18,22)