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

Systemtic Name: (phenylmethyl) 2-[(4-acetyloxy-5-oxidanylidene-2-phenyl-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C30H32N2O5S MolecularWeight: 532.65048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON1CC(SCC(C1=O)NC(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)ON1CC(SCC(C1=O)NC(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H32N2O5S/c1-22(33)37-32-19-28(25-15-9-4-10-16-25)38-21-27(29(32)34)31-26(18-17-23-11-5-2-6-12-23)30(35)36-20-24-13-7-3-8-14-24/h2-16,26-28,31H,17-21H2,1H3