(phenylmethyl) 2-[(4-acetyloxy-5-oxidanylidene-2-thiophen-3-yl-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate

Systemtic Name: (phenylmethyl) 2-[(4-acetyloxy-5-oxidanylidene-2-thiophen-3-yl-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate Openeye Name: benzyl 2-[[4-acetoxy-5-oxo-2-(3-thienyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[4-acetyloxy-5-oxo-2-(3-thiophenyl)-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-acetyloxy-5-oxo-2-thiophen-3-yl-1,4-thiazepan-6-yl)amino]-4-phenylbutanoate Traditional Name: 2-[[4-acetoxy-5-keto-2-(3-thienyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butyric acid benzyl ester Formula: C28H30N2O5S2 MolecularWeight: 538.6782

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O5S2/c1-20(31)35-30-16-26(23-14-15-36-18-23)37-19-25(27(30)32)29-24(13-12-21-8-4-2-5-9-21)28(33)34-17-22-10-6-3-7-11-22/h2-11,14-15,18,24-26,29H,12-13,16-17,19H2,1H3