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

Systemtic Name: [(3R,4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-3-methoxy-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-hydroxy-1-naphthyl)-3-methoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-[(1,3-benzodioxol-5-ylamino)-oxomethoxy]-4-(4-hydroxy-1-naphthalenyl)-3-methoxybutyl] ester IUPAC Name: [(3R,4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-hydroxynaphthalen-1-yl)-3-methoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-hydroxy-1-naphthyl)-3-methoxy-butyl] ester Formula: C25H25NO8S MolecularWeight: 499.5329

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Descriptors Computed from Structure

Canonical SMILES:

COC(CCOC(=O)CS)C(C1=CC=C(C2=CC=CC=C21)O)OC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CO[C@H](CCOC(=O)CS)[C@@H](C1=CC=C(C2=CC=CC=C21)O)OC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H25NO8S/c1-30-21(10-11-31-23(28)13-35)24(18-7-8-19(27)17-5-3-2-4-16(17)18)34-25(29)26-15-6-9-20-22(12-15)33-14-32-20/h2-9,12,21,24,27,35H,10-11,13-14H2,1H3,(H,26,29)/t21-,24-/m1/s1