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

Systemtic Name: [(3S,4S)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-3-ethoxy-4-(4-oxidanylnaphthalen-1-yl)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-3-ethoxy-4-(4-hydroxy-1-naphthyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-[(1,3-benzodioxol-5-ylamino)-oxomethoxy]-3-ethoxy-4-(4-hydroxy-1-naphthalenyl)butyl] ester IUPAC Name: [(3S,4S)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-3-ethoxy-4-(4-hydroxynaphthalen-1-yl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-(1,3-benzodioxol-5-ylcarbamoyloxy)-3-ethoxy-4-(4-hydroxy-1-naphthyl)butyl] ester Formula: C26H27NO8S MolecularWeight: 513.55948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCO[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/C26H27NO8S/c1-2-31-22(11-12-32-24(29)14-36)25(19-8-9-20(28)18-6-4-3-5-17(18)19)35-26(30)27-16-7-10-21-23(13-16)34-15-33-21/h3-10,13,22,25,28,36H,2,11-12,14-15H2,1H3,(H,27,30)/t22-,25-/m0/s1