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

Systemtic Name: [(3R,4R)-4-[(4-ethanoylphenyl)carbamoyloxy]-4-(4-oxidanylnaphthalen-1-yl)-3-phenoxy-butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-[(4-acetylphenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)-3-phenoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-[(4-acetylanilino)-oxomethoxy]-4-(4-hydroxy-1-naphthalenyl)-3-phenoxybutyl] ester IUPAC Name: [(3R,4R)-4-[(4-acetylphenyl)carbamoyloxy]-4-(4-hydroxynaphthalen-1-yl)-3-phenoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-[(4-acetylphenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)-3-phenoxy-butyl] ester Formula: C31H29NO7S MolecularWeight: 559.62946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=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

CC(=O)C1=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/C31H29NO7S/c1-20(33)21-11-13-22(14-12-21)32-31(36)39-30(26-15-16-27(34)25-10-6-5-9-24(25)26)28(17-18-37-29(35)19-40)38-23-7-3-2-4-8-23/h2-16,28,30,34,40H,17-19H2,1H3,(H,32,36)/t28-,30-/m1/s1