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

Systemtic Name: [(3R,4S)-4-[(4-bromophenyl)carbamoyloxy]-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-butyl] 2-sulfanylethanoate Openeye Name: [(3R,4S)-4-[(4-bromophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4S)-4-[(4-bromoanilino)-oxomethoxy]-4-(3-hydroxy-4-methoxyphenyl)-3-methylbutyl] ester IUPAC Name: [(3R,4S)-4-[(4-bromophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxyphenyl)-3-methylbutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4S)-4-[(4-bromophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-butyl] ester Formula: C21H24BrNO6S MolecularWeight: 498.38736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[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/C21H24BrNO6S/c1-13(9-10-28-19(25)12-30)20(14-3-8-18(27-2)17(24)11-14)29-21(26)23-16-6-4-15(22)5-7-16/h3-8,11,13,20,24,30H,9-10,12H2,1-2H3,(H,23,26)/t13-,20+/m1/s1