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

Systemtic Name: ethyl 2-[8-[(2-ethanoylsulfanyl-3-phenyl-propanoyl)amino]-2-oxidanylidene-5H-1-benzazepin-1-yl]ethanoate Openeye Name: ethyl 2-[8-[(2-acetylsulfanyl-3-phenyl-propanoyl)amino]-2-oxo-5H-1-benzazepin-1-yl]acetate CAS Name: 2-[8-[[2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-2-oxo-5H-1-benzazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[8-[(2-acetylsulfanyl-3-phenylpropanoyl)amino]-2-oxo-5H-1-benzazepin-1-yl]acetate Traditional Name: 2-[8-[[2-(acetylthio)-3-phenyl-propanoyl]amino]-2-keto-5H-1-benzazepin-1-yl]acetic acid ethyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C=CCC2=C1C=C(C=C2)NC(=O)C(CC3=CC=CC=C3)SC(=O)C

Isomeric SMILES

CCOC(=O)CN1C(=O)C=CCC2=C1C=C(C=C2)NC(=O)C(CC3=CC=CC=C3)SC(=O)C

InChI

InChI=1S/C25H26N2O5S/c1-3-32-24(30)16-27-21-15-20(13-12-19(21)10-7-11-23(27)29)26-25(31)22(33-17(2)28)14-18-8-5-4-6-9-18/h4-9,11-13,15,22H,3,10,14,16H2,1-2H3,(H,26,31)