[(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(3-oxidanylidene-5aH-2-benzazepin-2-yl)ethanoate

Systemtic Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(3-oxidanylidene-5aH-2-benzazepin-2-yl)ethanoate Openeye Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(3-oxo-5aH-2-benzazepin-2-yl)acetate CAS Name: 2-(3-oxo-5aH-2-benzazepin-2-yl)acetic acid [(2-mercapto-1-oxo-3-phenylpropyl)amino] ester IUPAC Name: [(3-phenyl-2-sulfanylpropanoyl)amino] 2-(3-oxo-5aH-2-benzazepin-2-yl)acetate Traditional Name: 2-(3-keto-5aH-2-benzazepin-2-yl)acetic acid [(2-mercapto-3-phenyl-propanoyl)amino] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NOC(=O)CN2C=C3C=CC=CC3C=CC2=O)S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NOC(=O)CN2C=C3C=CC=CC3C=CC2=O)S

InChI

InChI=1S/C21H20N2O4S/c24-19-11-10-16-8-4-5-9-17(16)13-23(19)14-20(25)27-22-21(26)18(28)12-15-6-2-1-3-7-15/h1-11,13,16,18,28H,12,14H2,(H,22,26)