ethyl 3-[(2-ethanoylsulfanyl-3-methyl-pentanoyl)amino]-2-oxidanylidene-5H-1-benzazepine-1-carboxylate

Systemtic Name: ethyl 3-[(2-ethanoylsulfanyl-3-methyl-pentanoyl)amino]-2-oxidanylidene-5H-1-benzazepine-1-carboxylate Openeye Name: ethyl 3-[(2-acetylsulfanyl-3-methyl-pentanoyl)amino]-2-oxo-5H-1-benzazepine-1-carboxylate CAS Name: 3-[[2-(acetylthio)-3-methyl-1-oxopentyl]amino]-2-oxo-5H-1-benzazepine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-acetylsulfanyl-3-methylpentanoyl)amino]-2-oxo-5H-1-benzazepine-1-carboxylate Traditional Name: 3-[[2-(acetylthio)-3-methyl-pentanoyl]amino]-2-keto-5H-1-benzazepine-1-carboxylic acid ethyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CCC2=CC=CC=C2N(C1=O)C(=O)OCC)SC(=O)C

Isomeric SMILES

CCC(C)C(C(=O)NC1=CCC2=CC=CC=C2N(C1=O)C(=O)OCC)SC(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-5-13(3)18(29-14(4)24)19(25)22-16-12-11-15-9-7-8-10-17(15)23(20(16)26)21(27)28-6-2/h7-10,12-13,18H,5-6,11H2,1-4H3,(H,22,25)