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

Systemtic Name: butyl 2-[(4-acetyloxy-5-oxidanylidene-2-phenyl-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O5S/c1-3-4-17-33-27(32)23(16-15-21-11-7-5-8-12-21)28-24-19-35-25(22-13-9-6-10-14-22)18-29(26(24)31)34-20(2)30/h5-14,23-25,28H,3-4,15-19H2,1-2H3