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

Systemtic Name: [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(4-methoxy-3-oxidanyl-phenyl)-3-phenoxy-butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)-3-phenoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-cyanoanilino)-oxomethoxy]-4-(3-hydroxy-4-methoxyphenyl)-3-phenoxybutyl] ester IUPAC Name: [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxyphenyl)-3-phenoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)-3-phenoxy-butyl] ester Formula: C27H26N2O7S MolecularWeight: 522.56954

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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)C#N)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)C#N)O

InChI

InChI=1S/C27H26N2O7S/c1-33-23-12-9-19(15-22(23)30)26(36-27(32)29-20-10-7-18(16-28)8-11-20)24(13-14-34-25(31)17-37)35-21-5-3-2-4-6-21/h2-12,15,24,26,30,37H,13-14,17H2,1H3,(H,29,32)/t24-,26-/m0/s1