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

Systemtic Name: [(3S,4S)-4-[(4-bromophenyl)carbamoyloxy]-3-ethoxy-4-(4-methoxy-3-oxidanyl-phenyl)butyl] 2-sulfanylethanoate Openeye Name: [(3S,4S)-4-[(4-bromophenyl)carbamoyloxy]-3-ethoxy-4-(3-hydroxy-4-methoxy-phenyl)butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-bromoanilino)-oxomethoxy]-3-ethoxy-4-(3-hydroxy-4-methoxyphenyl)butyl] ester IUPAC Name: [(3S,4S)-4-[(4-bromophenyl)carbamoyloxy]-3-ethoxy-4-(3-hydroxy-4-methoxyphenyl)butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3S,4S)-4-[(4-bromophenyl)carbamoyloxy]-3-ethoxy-4-(3-hydroxy-4-methoxy-phenyl)butyl] ester Formula: C22H26BrNO7S MolecularWeight: 528.41334

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO7S/c1-3-29-19(10-11-30-20(26)13-32)21(14-4-9-18(28-2)17(25)12-14)31-22(27)24-16-7-5-15(23)6-8-16/h4-9,12,19,21,25,32H,3,10-11,13H2,1-2H3,(H,24,27)/t19-,21-/m0/s1