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

Systemtic Name: [(3S,4S)-3-methoxy-4-(4-methoxy-3-oxidanyl-phenyl)-4-[(4-methylphenyl)carbamoyloxy]butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-4-(p-tolylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-[(4-methylanilino)-oxomethoxy]butyl] ester IUPAC Name: [(3S,4S)-4-(3-hydroxy-4-methoxyphenyl)-3-methoxy-4-[(4-methylphenyl)carbamoyloxy]butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-4-(p-tolylcarbamoyloxy)butyl] ester Formula: C22H27NO7S MolecularWeight: 449.51728

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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(CCOC(=O)CS)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO7S/c1-14-4-7-16(8-5-14)23-22(26)30-21(15-6-9-18(27-2)17(24)12-15)19(28-3)10-11-29-20(25)13-31/h4-9,12,19,21,24,31H,10-11,13H2,1-3H3,(H,23,26)/t19-,21-/m0/s1