[(3-phenyl-2-sulfanyl-propanoyl)amino] 2-[1-methyl-3,7-bis(oxidanylidene)-4H-1,2-diazepin-2-yl]ethanoate

Systemtic Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-[1-methyl-3,7-bis(oxidanylidene)-4H-1,2-diazepin-2-yl]ethanoate Openeye Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(1-methyl-3,7-dioxo-4H-diazepin-2-yl)acetate CAS Name: 2-(1-methyl-3,7-dioxo-4H-diazepin-2-yl)acetic acid [(2-mercapto-1-oxo-3-phenylpropyl)amino] ester IUPAC Name: [(3-phenyl-2-sulfanylpropanoyl)amino] 2-(1-methyl-3,7-dioxo-4H-diazepin-2-yl)acetate Traditional Name: 2-(3,7-diketo-1-methyl-4H-diazepin-2-yl)acetic acid [(2-mercapto-3-phenyl-propanoyl)amino] ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CCC(=O)N1CC(=O)ONC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

CN1C(=O)C=CCC(=O)N1CC(=O)ONC(=O)C(CC2=CC=CC=C2)S

InChI

InChI=1S/C17H19N3O5S/c1-19-14(21)8-5-9-15(22)20(19)11-16(23)25-18-17(24)13(26)10-12-6-3-2-4-7-12/h2-8,13,26H,9-11H2,1H3,(H,18,24)