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

Systemtic Name: ethyl 2-[3-[(2-ethanoylsulfanyl-3-phenyl-propanoyl)amino]-2-oxidanylidene-8-phenyl-5H-1-benzazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[(2-acetylsulfanyl-3-phenyl-propanoyl)amino]-2-oxo-8-phenyl-5H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[[2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-2-oxo-8-phenyl-5H-1-benzazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(2-acetylsulfanyl-3-phenylpropanoyl)amino]-2-oxo-8-phenyl-5H-1-benzazepin-1-yl]acetate Traditional Name: 2-[3-[[2-(acetylthio)-3-phenyl-propanoyl]amino]-2-keto-8-phenyl-5H-1-benzazepin-1-yl]acetic acid ethyl ester Formula: C31H30N2O5S MolecularWeight: 542.6453

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(CC=C(C1=O)NC(=O)C(CC3=CC=CC=C3)SC(=O)C)C=CC(=C2)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C2=C(CC=C(C1=O)NC(=O)C(CC3=CC=CC=C3)SC(=O)C)C=CC(=C2)C4=CC=CC=C4

InChI

InChI=1S/C31H30N2O5S/c1-3-38-29(35)20-33-27-19-25(23-12-8-5-9-13-23)15-14-24(27)16-17-26(31(33)37)32-30(36)28(39-21(2)34)18-22-10-6-4-7-11-22/h4-15,17,19,28H,3,16,18,20H2,1-2H3,(H,32,36)