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

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-7-phenyl-2-(phenylmethoxycarbonylamino)heptanoate Openeye Name: 2-(benzyloxycarbonylamino)-3-(4-methoxyphenyl)sulfanyl-7-phenyl-heptanoate CAS Name: 3-[(4-methoxyphenyl)thio]-7-phenyl-2-(phenylmethoxycarbonylamino)heptanoate IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-7-phenyl-2-(phenylmethoxycarbonylamino)heptanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[(4-methoxyphenyl)thio]-7-phenyl-enanthate Formula: C28H30NO5S- MolecularWeight: 492.6065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC(CCCCC2=CC=CC=C2)C(C(=O)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)SC(CCCCC2=CC=CC=C2)C(C(=O)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H31NO5S/c1-33-23-16-18-24(19-17-23)35-25(15-9-8-12-21-10-4-2-5-11-21)26(27(30)31)29-28(32)34-20-22-13-6-3-7-14-22/h2-7,10-11,13-14,16-19,25-26H,8-9,12,15,20H2,1H3,(H,29,32)(H,30,31)/p-1