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

Systemtic Name: [(4S)-4-(4-methoxy-3-oxidanyl-phenyl)-3,3-dimethyl-4-[(4-methylphenyl)carbamoyloxy]butyl] 2-sulfanylethanoate Openeye Name: [(4S)-4-(3-hydroxy-4-methoxy-phenyl)-3,3-dimethyl-4-(p-tolylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4S)-4-(3-hydroxy-4-methoxyphenyl)-3,3-dimethyl-4-[(4-methylanilino)-oxomethoxy]butyl] ester IUPAC Name: [(4S)-4-(3-hydroxy-4-methoxyphenyl)-3,3-dimethyl-4-[(4-methylphenyl)carbamoyloxy]butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4S)-4-(3-hydroxy-4-methoxy-phenyl)-3,3-dimethyl-4-(p-tolylcarbamoyloxy)butyl] ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)OC(C2=CC(=C(C=C2)OC)O)C(C)(C)CCOC(=O)CS

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)O[C@H](C2=CC(=C(C=C2)OC)O)C(C)(C)CCOC(=O)CS

InChI

InChI=1S/C23H29NO6S/c1-15-5-8-17(9-6-15)24-22(27)30-21(16-7-10-19(28-4)18(25)13-16)23(2,3)11-12-29-20(26)14-31/h5-10,13,21,25,31H,11-12,14H2,1-4H3,(H,24,27)/t21-/m1/s1