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

Systemtic Name: [(3S,4S)-4-[(4-methylphenyl)carbamoyloxy]-4-(4-oxidanylnaphthalen-1-yl)-3-phenoxy-butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-(4-hydroxy-1-naphthyl)-3-phenoxy-4-(p-tolylcarbamoyloxy)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-(4-hydroxy-1-naphthalenyl)-4-[(4-methylanilino)-oxomethoxy]-3-phenoxybutyl] ester IUPAC Name: [(3S,4S)-4-(4-hydroxynaphthalen-1-yl)-4-[(4-methylphenyl)carbamoyloxy]-3-phenoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-(4-hydroxy-1-naphthyl)-3-phenoxy-4-(p-tolylcarbamoyloxy)butyl] ester Formula: C30H29NO6S MolecularWeight: 531.61936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C30H29NO6S/c1-20-11-13-21(14-12-20)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)36-22-7-3-2-4-8-22/h2-16,27,29,32,38H,17-19H2,1H3,(H,31,34)/t27-,29-/m0/s1