ethyl 2-[(4-acetyloxy-5-oxidanylidene-2-phenyl-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[(4-acetyloxy-5-oxidanylidene-2-phenyl-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[(4-acetoxy-5-oxo-2-phenyl-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate CAS Name: 2-[(4-acetyloxy-5-oxo-2-phenyl-1,4-thiazepan-6-yl)amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetyloxy-5-oxo-2-phenyl-1,4-thiazepan-6-yl)amino]-4-phenylbutanoate Traditional Name: 2-[(4-acetoxy-5-keto-2-phenyl-1,4-thiazepan-6-yl)amino]-4-phenyl-butyric acid ethyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)OC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)OC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O5S/c1-3-31-25(30)21(15-14-19-10-6-4-7-11-19)26-22-17-33-23(20-12-8-5-9-13-20)16-27(24(22)29)32-18(2)28/h4-13,21-23,26H,3,14-17H2,1-2H3