[(3S,4S)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-oxidanylnaphthalen-1-yl)-3-phenoxy-butyl] 2-sulfanylethanoate

Systemtic Name: [(3S,4S)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-oxidanylnaphthalen-1-yl)-3-phenoxy-butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-hydroxy-1-naphthyl)-3-phenoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-[(1,3-benzodioxol-5-ylamino)-oxomethoxy]-4-(4-hydroxy-1-naphthalenyl)-3-phenoxybutyl] ester IUPAC Name: [(3S,4S)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-hydroxynaphthalen-1-yl)-3-phenoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-hydroxy-1-naphthyl)-3-phenoxy-butyl] ester Formula: C30H27NO8S MolecularWeight: 561.60228

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)OC(C3=CC=C(C4=CC=CC=C43)O)C(CCOC(=O)CS)OC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)O[C@@H](C3=CC=C(C4=CC=CC=C43)O)[C@H](CCOC(=O)CS)OC5=CC=CC=C5

InChI

InChI=1S/C30H27NO8S/c32-24-12-11-23(21-8-4-5-9-22(21)24)29(39-30(34)31-19-10-13-25-27(16-19)37-18-36-25)26(14-15-35-28(33)17-40)38-20-6-2-1-3-7-20/h1-13,16,26,29,32,40H,14-15,17-18H2,(H,31,34)/t26-,29-/m0/s1