[(3S,4S)-4-[(4-bromophenyl)carbamoyloxy]-4-(4-methoxy-3-oxidanyl-phenyl)-3-phenoxy-butyl] 2-sulfanylethanoate

Systemtic Name: [(3S,4S)-4-[(4-bromophenyl)carbamoyloxy]-4-(4-methoxy-3-oxidanyl-phenyl)-3-phenoxy-butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-[(4-bromophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)-3-phenoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-bromoanilino)-oxomethoxy]-4-(3-hydroxy-4-methoxyphenyl)-3-phenoxybutyl] ester IUPAC Name: [(3S,4S)-4-[(4-bromophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxyphenyl)-3-phenoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-bromophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)-3-phenoxy-butyl] ester Formula: C26H26BrNO7S MolecularWeight: 576.45614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(CCOC(=O)CS)OC2=CC=CC=C2)OC(=O)NC3=CC=C(C=C3)Br)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]([C@H](CCOC(=O)CS)OC2=CC=CC=C2)OC(=O)NC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C26H26BrNO7S/c1-32-22-12-7-17(15-21(22)29)25(35-26(31)28-19-10-8-18(27)9-11-19)23(13-14-33-24(30)16-36)34-20-5-3-2-4-6-20/h2-12,15,23,25,29,36H,13-14,16H2,1H3,(H,28,31)/t23-,25-/m0/s1