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

Systemtic Name: [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-3-ethoxy-4-(4-methoxy-3-oxidanyl-phenyl)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-3-ethoxy-4-(3-hydroxy-4-methoxy-phenyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-cyanoanilino)-oxomethoxy]-3-ethoxy-4-(3-hydroxy-4-methoxyphenyl)butyl] ester IUPAC Name: [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-3-ethoxy-4-(3-hydroxy-4-methoxyphenyl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-cyanophenyl)carbamoyloxy]-3-ethoxy-4-(3-hydroxy-4-methoxy-phenyl)butyl] ester Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCOC(=O)CS)C(C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCO[C@@H](CCOC(=O)CS)[C@H](C1=CC(=C(C=C1)OC)O)OC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C23H26N2O7S/c1-3-30-20(10-11-31-21(27)14-33)22(16-6-9-19(29-2)18(26)12-16)32-23(28)25-17-7-4-15(13-24)5-8-17/h4-9,12,20,22,26,33H,3,10-11,14H2,1-2H3,(H,25,28)/t20-,22-/m0/s1