[(2-methyl-3-phenyl-2-sulfanyl-propanoyl)amino] 2-(2-oxidanylidene-5H-1-benzazepin-1-yl)ethanoate

Systemtic Name: [(2-methyl-3-phenyl-2-sulfanyl-propanoyl)amino] 2-(2-oxidanylidene-5H-1-benzazepin-1-yl)ethanoate Openeye Name: [(2-methyl-3-phenyl-2-sulfanyl-propanoyl)amino] 2-(2-oxo-5H-1-benzazepin-1-yl)acetate CAS Name: 2-(2-oxo-5H-1-benzazepin-1-yl)acetic acid [(2-mercapto-2-methyl-1-oxo-3-phenylpropyl)amino] ester IUPAC Name: [(2-methyl-3-phenyl-2-sulfanylpropanoyl)amino] 2-(2-oxo-5H-1-benzazepin-1-yl)acetate Traditional Name: 2-(2-keto-5H-1-benzazepin-1-yl)acetic acid [(2-mercapto-2-methyl-3-phenyl-propanoyl)amino] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C(=O)NOC(=O)CN2C(=O)C=CCC3=CC=CC=C32)S

Isomeric SMILES

CC(CC1=CC=CC=C1)(C(=O)NOC(=O)CN2C(=O)C=CCC3=CC=CC=C32)S

InChI

InChI=1S/C22H22N2O4S/c1-22(29,14-16-8-3-2-4-9-16)21(27)23-28-20(26)15-24-18-12-6-5-10-17(18)11-7-13-19(24)25/h2-10,12-13,29H,11,14-15H2,1H3,(H,23,27)