cyclohexyl 2-[ethanoyl-(2-oxidanylidene-5H-1-benzazepin-1-yl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: cyclohexyl 2-[ethanoyl-(2-oxidanylidene-5H-1-benzazepin-1-yl)amino]-4-methylsulfanyl-butanoate Openeye Name: cyclohexyl 2-[acetyl-(2-oxo-5H-1-benzazepin-1-yl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[acetyl-(2-oxo-5H-1-benzazepin-1-yl)amino]-4-(methylthio)butanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[acetyl-(2-oxo-5H-1-benzazepin-1-yl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[acetyl-(2-keto-5H-1-benzazepin-1-yl)amino]-4-(methylthio)butyric acid cyclohexyl ester Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C(CCSC)C(=O)OC1CCCCC1)N2C(=O)C=CCC3=CC=CC=C32

Isomeric SMILES

CC(=O)N(C(CCSC)C(=O)OC1CCCCC1)N2C(=O)C=CCC3=CC=CC=C32

InChI

InChI=1S/C23H30N2O4S/c1-17(26)24(25-20-13-7-6-9-18(20)10-8-14-22(25)27)21(15-16-30-2)23(28)29-19-11-4-3-5-12-19/h6-9,13-14,19,21H,3-5,10-12,15-16H2,1-2H3