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

Systemtic Name: [(3R,4R)-4-[(4-cyanophenyl)carbamoyloxy]-3-methoxy-4-(4-methoxy-3-oxidanyl-phenyl)butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-[(4-cyanophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-[(4-cyanoanilino)-oxomethoxy]-4-(3-hydroxy-4-methoxyphenyl)-3-methoxybutyl] ester IUPAC Name: [(3R,4R)-4-[(4-cyanophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxyphenyl)-3-methoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-[(4-cyanophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-butyl] ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O7S/c1-28-18-8-5-15(11-17(18)25)21(19(29-2)9-10-30-20(26)13-32)31-22(27)24-16-6-3-14(12-23)4-7-16/h3-8,11,19,21,25,32H,9-10,13H2,1-2H3,(H,24,27)/t19-,21-/m1/s1