(phenylmethyl) 2-[[2-oxidanylidene-2-[(5-oxidanylidene-1,4-thiazepan-4-yl)oxy]-1-thiophen-2-yl-ethyl]amino]-4-phenyl-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN(C1=O)OC(=O)C(C2=CC=CS2)NC(CCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CSCCN(C1=O)OC(=O)C(C2=CC=CS2)NC(CCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O5S2/c31-25-15-18-36-19-16-30(25)35-28(33)26(24-12-7-17-37-24)29-23(14-13-21-8-3-1-4-9-21)27(32)34-20-22-10-5-2-6-11-22/h1-12,17,23,26,29H,13-16,18-20H2