[(4R)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-methoxy-3-oxidanyl-phenyl)butyl] 2-sulfanylethanoate

Systemtic Name: [(4R)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-methoxy-3-oxidanyl-phenyl)butyl] 2-sulfanylethanoate Openeye Name: [(4R)-4-[(4-cyanophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4R)-4-[(4-cyanoanilino)-oxomethoxy]-4-(3-hydroxy-4-methoxyphenyl)butyl] ester IUPAC Name: [(4R)-4-[(4-cyanophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxyphenyl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4R)-4-[(4-cyanophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)butyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCOC(=O)CS)OC(=O)NC2=CC=C(C=C2)C#N)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](CCCOC(=O)CS)OC(=O)NC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C21H22N2O6S/c1-27-19-9-6-15(11-17(19)24)18(3-2-10-28-20(25)13-30)29-21(26)23-16-7-4-14(12-22)5-8-16/h4-9,11,18,24,30H,2-3,10,13H2,1H3,(H,23,26)/t18-/m1/s1