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

Systemtic Name: ethyl 2-[3-[(2-ethanoylsulfanyl-3-methyl-butanoyl)amino]-2-oxidanylidene-8-phenyl-5H-1-benzazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[(2-acetylsulfanyl-3-methyl-butanoyl)amino]-2-oxo-8-phenyl-5H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[[2-(acetylthio)-3-methyl-1-oxobutyl]amino]-2-oxo-8-phenyl-5H-1-benzazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(2-acetylsulfanyl-3-methylbutanoyl)amino]-2-oxo-8-phenyl-5H-1-benzazepin-1-yl]acetate Traditional Name: 2-[3-[[2-(acetylthio)-3-methyl-butanoyl]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)NC(=O)C(C(C)C)SC(=O)C)C=CC(=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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