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

Systemtic Name: [(3R,4R)-4-[(4-methylsulfanylphenyl)carbamoyloxy]-4-(4-oxidanylnaphthalen-1-yl)-3-phenoxy-butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-(4-hydroxy-1-naphthyl)-4-[(4-methylsulfanylphenyl)carbamoyloxy]-3-phenoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-(4-hydroxy-1-naphthalenyl)-4-[[4-(methylthio)anilino]-oxomethoxy]-3-phenoxybutyl] ester IUPAC Name: [(3R,4R)-4-(4-hydroxynaphthalen-1-yl)-4-[(4-methylsulfanylphenyl)carbamoyloxy]-3-phenoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-(4-hydroxy-1-naphthyl)-4-[[4-(methylthio)phenyl]carbamoyloxy]-3-phenoxy-butyl] ester Formula: C30H29NO6S2 MolecularWeight: 563.68436

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)OC(C2=CC=C(C3=CC=CC=C32)O)C(CCOC(=O)CS)OC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)O[C@H](C2=CC=C(C3=CC=CC=C32)O)[C@@H](CCOC(=O)CS)OC4=CC=CC=C4

InChI

InChI=1S/C30H29NO6S2/c1-39-22-13-11-20(12-14-22)31-30(34)37-29(25-15-16-26(32)24-10-6-5-9-23(24)25)27(17-18-35-28(33)19-38)36-21-7-3-2-4-8-21/h2-16,27,29,32,38H,17-19H2,1H3,(H,31,34)/t27-,29-/m1/s1