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

Systemtic Name: [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-cyanoanilino)-oxomethoxy]-4-(3-hydroxy-4-methoxyphenyl)-3-methylbutyl] ester IUPAC Name: [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxyphenyl)-3-methylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-butyl] ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6S/c1-14(9-10-29-20(26)13-31)21(16-5-8-19(28-2)18(25)11-16)30-22(27)24-17-6-3-15(12-23)4-7-17/h3-8,11,14,21,25,31H,9-10,13H2,1-2H3,(H,24,27)/t14-,21-/m0/s1