[(3S,4S)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-methoxy-3-oxidanyl-phenyl)-3-phenoxy-butyl] 2-sulfanylethanoate

Systemtic Name: [(3S,4S)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-methoxy-3-oxidanyl-phenyl)-3-phenoxy-butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(3-hydroxy-4-methoxy-phenyl)-3-phenoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-[(1,3-benzodioxol-5-ylamino)-oxomethoxy]-4-(3-hydroxy-4-methoxyphenyl)-3-phenoxybutyl] ester IUPAC Name: [(3S,4S)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(3-hydroxy-4-methoxyphenyl)-3-phenoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(3-hydroxy-4-methoxy-phenyl)-3-phenoxy-butyl] ester Formula: C27H27NO9S MolecularWeight: 541.56958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(CCOC(=O)CS)OC2=CC=CC=C2)OC(=O)NC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]([C@H](CCOC(=O)CS)OC2=CC=CC=C2)OC(=O)NC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C27H27NO9S/c1-32-21-9-7-17(13-20(21)29)26(37-27(31)28-18-8-10-22-24(14-18)35-16-34-22)23(11-12-33-25(30)15-38)36-19-5-3-2-4-6-19/h2-10,13-14,23,26,29,38H,11-12,15-16H2,1H3,(H,28,31)/t23-,26-/m0/s1