ethyl 2-[3-[ethanoylsulfanyl(3-methylbutanoyl)amino]-2-oxidanylidene-8-phenyl-5H-1-benzazepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[ethanoylsulfanyl(3-methylbutanoyl)amino]-2-oxidanylidene-8-phenyl-5H-1-benzazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[acetylsulfanyl(3-methylbutanoyl)amino]-2-oxo-8-phenyl-5H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[(acetylthio)-(3-methyl-1-oxobutyl)amino]-2-oxo-8-phenyl-5H-1-benzazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[acetylsulfanyl(3-methylbutanoyl)amino]-2-oxo-8-phenyl-5H-1-benzazepin-1-yl]acetate Traditional Name: 2-[3-[(acetylthio)-isovaleryl-amino]-2-keto-8-phenyl-5H-1-benzazepin-1-yl]acetic acid ethyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(CC=C(C1=O)N(C(=O)CC(C)C)SC(=O)C)C=CC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(CC=C(C1=O)N(C(=O)CC(C)C)SC(=O)C)C=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H30N2O5S/c1-5-34-26(32)17-28-24-16-22(20-9-7-6-8-10-20)12-11-21(24)13-14-23(27(28)33)29(35-19(4)30)25(31)15-18(2)3/h6-12,14,16,18H,5,13,15,17H2,1-4H3