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

Systemtic Name: [(4S)-4-(4-methoxy-3-oxidanyl-phenyl)-4-[(4-methylphenyl)carbamoyloxy]butyl] 2-sulfanylethanoate Openeye Name: [(4S)-4-(3-hydroxy-4-methoxy-phenyl)-4-(p-tolylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(4S)-4-(3-hydroxy-4-methoxyphenyl)-4-[(4-methylanilino)-oxomethoxy]butyl] ester IUPAC Name: [(4S)-4-(3-hydroxy-4-methoxyphenyl)-4-[(4-methylphenyl)carbamoyloxy]butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(4S)-4-(3-hydroxy-4-methoxy-phenyl)-4-(p-tolylcarbamoyloxy)butyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-14-5-8-16(9-6-14)22-21(25)28-18(4-3-11-27-20(24)13-29)15-7-10-19(26-2)17(23)12-15/h5-10,12,18,23,29H,3-4,11,13H2,1-2H3,(H,22,25)/t18-/m0/s1