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

Systemtic Name: (phenylmethyl) 2-[(4-acetyloxy-5-oxidanylidene-3-thiophen-2-yl-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate Openeye Name: benzyl 2-[[4-acetoxy-5-oxo-3-(2-thienyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate CAS Name: 2-[(4-acetyloxy-5-oxo-3-thiophen-2-yl-1,4-thiazepan-6-yl)amino]-4-phenylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-acetyloxy-5-oxo-3-thiophen-2-yl-1,4-thiazepan-6-yl)amino]-4-phenylbutanoate Traditional Name: 2-[[4-acetoxy-5-keto-3-(2-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)ON1C(CSCC(C1=O)NC(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(=O)ON1C(CSCC(C1=O)NC(CCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CS4

InChI

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