[(4-methyl-2-sulfanyl-pentanoyl)amino] 2-(2-oxidanylidene-5H-1-benzazepin-1-yl)ethanoate

Systemtic Name: [(4-methyl-2-sulfanyl-pentanoyl)amino] 2-(2-oxidanylidene-5H-1-benzazepin-1-yl)ethanoate Openeye Name: [(4-methyl-2-sulfanyl-pentanoyl)amino] 2-(2-oxo-5H-1-benzazepin-1-yl)acetate CAS Name: 2-(2-oxo-5H-1-benzazepin-1-yl)acetic acid [(2-mercapto-4-methyl-1-oxopentyl)amino] ester IUPAC Name: [(4-methyl-2-sulfanylpentanoyl)amino] 2-(2-oxo-5H-1-benzazepin-1-yl)acetate Traditional Name: 2-(2-keto-5H-1-benzazepin-1-yl)acetic acid [(2-mercapto-4-methyl-pentanoyl)amino] ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NOC(=O)CN1C(=O)C=CCC2=CC=CC=C21)S

Isomeric SMILES

CC(C)CC(C(=O)NOC(=O)CN1C(=O)C=CCC2=CC=CC=C21)S

InChI

InChI=1S/C18H22N2O4S/c1-12(2)10-15(25)18(23)19-24-17(22)11-20-14-8-4-3-6-13(14)7-5-9-16(20)21/h3-6,8-9,12,15,25H,7,10-11H2,1-2H3,(H,19,23)