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

Systemtic Name: ethyl 2-[3-[ethanoylsulfanyl(3-phenylpropanoyl)amino]-2-oxidanylidene-8-phenyl-5H-1-benzazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[acetylsulfanyl(3-phenylpropanoyl)amino]-2-oxo-8-phenyl-5H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[(acetylthio)-(1-oxo-3-phenylpropyl)amino]-2-oxo-8-phenyl-5H-1-benzazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[acetylsulfanyl(3-phenylpropanoyl)amino]-2-oxo-8-phenyl-5H-1-benzazepin-1-yl]acetate Traditional Name: 2-[3-[(acetylthio)-hydrocinnamoyl-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)N(C(=O)CCC3=CC=CC=C3)SC(=O)C)C=CC(=C2)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C2=C(CC=C(C1=O)N(C(=O)CCC3=CC=CC=C3)SC(=O)C)C=CC(=C2)C4=CC=CC=C4

InChI

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