[(3R,4R)-4-(naphthalen-1-ylcarbamoyloxy)-4-(4-oxidanylnaphthalen-1-yl)-3-phenoxy-butyl] 2-sulfanylethanoate

Systemtic Name: [(3R,4R)-4-(naphthalen-1-ylcarbamoyloxy)-4-(4-oxidanylnaphthalen-1-yl)-3-phenoxy-butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-(4-hydroxy-1-naphthyl)-4-(1-naphthylcarbamoyloxy)-3-phenoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-(4-hydroxy-1-naphthalenyl)-4-[(1-naphthalenylamino)-oxomethoxy]-3-phenoxybutyl] ester IUPAC Name: [(3R,4R)-4-(4-hydroxynaphthalen-1-yl)-4-(naphthalen-1-ylcarbamoyloxy)-3-phenoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-(4-hydroxy-1-naphthyl)-4-(1-naphthylcarbamoyloxy)-3-phenoxy-butyl] ester Formula: C33H29NO6S MolecularWeight: 567.65146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCOC(=O)CS)C(C2=CC=C(C3=CC=CC=C32)O)OC(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)O[C@H](CCOC(=O)CS)[C@@H](C2=CC=C(C3=CC=CC=C32)O)OC(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C33H29NO6S/c35-29-18-17-27(25-14-6-7-15-26(25)29)32(30(19-20-38-31(36)21-41)39-23-11-2-1-3-12-23)40-33(37)34-28-16-8-10-22-9-4-5-13-24(22)28/h1-18,30,32,35,41H,19-21H2,(H,34,37)/t30-,32-/m1/s1