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

Systemtic Name: [(3R,4R)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-oxidanylnaphthalen-1-yl)-3-phenoxy-butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)-3-phenoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-[(4-cyanoanilino)-oxomethoxy]-4-(4-hydroxy-1-naphthalenyl)-3-phenoxybutyl] ester IUPAC Name: [(3R,4R)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-hydroxynaphthalen-1-yl)-3-phenoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-hydroxy-1-naphthyl)-3-phenoxy-butyl] ester Formula: C30H26N2O6S MolecularWeight: 542.60224

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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=C(C=C4)C#N

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=C(C=C4)C#N

InChI

InChI=1S/C30H26N2O6S/c31-18-20-10-12-21(13-11-20)32-30(35)38-29(25-14-15-26(33)24-9-5-4-8-23(24)25)27(16-17-36-28(34)19-39)37-22-6-2-1-3-7-22/h1-15,27,29,33,39H,16-17,19H2,(H,32,35)/t27-,29-/m1/s1