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

Systemtic Name: [(3R,4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-3-methyl-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-hydroxy-1-naphthyl)-3-methyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-[(1,3-benzodioxol-5-ylamino)-oxomethoxy]-4-(4-hydroxy-1-naphthalenyl)-3-methylbutyl] ester IUPAC Name: [(3R,4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-hydroxynaphthalen-1-yl)-3-methylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-4-(4-hydroxy-1-naphthyl)-3-methyl-butyl] ester Formula: C25H25NO7S MolecularWeight: 483.5335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[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/C25H25NO7S/c1-15(10-11-30-23(28)13-34)24(19-7-8-20(27)18-5-3-2-4-17(18)19)33-25(29)26-16-6-9-21-22(12-16)32-14-31-21/h2-9,12,15,24,27,34H,10-11,13-14H2,1H3,(H,26,29)/t15-,24-/m1/s1