prop-2-enyl 3-(4-methoxyphenyl)sulfanyl-7-phenyl-2-(phenylmethoxycarbonylamino)heptanoate

Systemtic Name: prop-2-enyl 3-(4-methoxyphenyl)sulfanyl-7-phenyl-2-(phenylmethoxycarbonylamino)heptanoate Openeye Name: allyl 2-(benzyloxycarbonylamino)-3-(4-methoxyphenyl)sulfanyl-7-phenyl-heptanoate CAS Name: 3-[(4-methoxyphenyl)thio]-7-phenyl-2-(phenylmethoxycarbonylamino)heptanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-(4-methoxyphenyl)sulfanyl-7-phenyl-2-(phenylmethoxycarbonylamino)heptanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[(4-methoxyphenyl)thio]-7-phenyl-enanthic acid allyl ester Formula: C31H35NO5S MolecularWeight: 533.6783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC(CCCCC2=CC=CC=C2)C(C(=O)OCC=C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)SC(CCCCC2=CC=CC=C2)C(C(=O)OCC=C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H35NO5S/c1-3-22-36-30(33)29(32-31(34)37-23-25-15-8-5-9-16-25)28(38-27-20-18-26(35-2)19-21-27)17-11-10-14-24-12-6-4-7-13-24/h3-9,12-13,15-16,18-21,28-29H,1,10-11,14,17,22-23H2,2H3,(H,32,34)