ethyl 2-[1-[(2-ethanoylsulfanyl-3-phenyl-butanoyl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]ethanoate

Systemtic Name: ethyl 2-[1-[(2-ethanoylsulfanyl-3-phenyl-butanoyl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]ethanoate Openeye Name: ethyl 2-[1-[(2-acetylsulfanyl-3-phenyl-butanoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]acetate CAS Name: 2-[1-[[2-(acetylthio)-1-oxo-3-phenylbutyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(2-acetylsulfanyl-3-phenylbutanoyl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]acetate Traditional Name: 2-[1-[[2-(acetylthio)-3-phenyl-butanoyl]amino]-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]acetic acid ethyl ester Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CCC2=CC=CC=C2N(C1=O)NC(=O)C(C(C)C3=CC=CC=C3)SC(=O)C

Isomeric SMILES

CCOC(=O)CC1CCC2=CC=CC=C2N(C1=O)NC(=O)C(C(C)C3=CC=CC=C3)SC(=O)C

InChI

InChI=1S/C26H30N2O5S/c1-4-33-23(30)16-21-15-14-20-12-8-9-13-22(20)28(26(21)32)27-25(31)24(34-18(3)29)17(2)19-10-6-5-7-11-19/h5-13,17,21,24H,4,14-16H2,1-3H3,(H,27,31)