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

Systemtic Name: [(3R,4R)-4-[(4-bromophenyl)carbamoyloxy]-3-methoxy-4-(4-methoxy-3-oxidanyl-phenyl)butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-[(4-bromophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-[(4-bromoanilino)-oxomethoxy]-4-(3-hydroxy-4-methoxyphenyl)-3-methoxybutyl] ester IUPAC Name: [(3R,4R)-4-[(4-bromophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxyphenyl)-3-methoxybutyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-[(4-bromophenyl)carbamoyloxy]-4-(3-hydroxy-4-methoxy-phenyl)-3-methoxy-butyl] ester Formula: C21H24BrNO7S MolecularWeight: 514.38676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(CCOC(=O)CS)OC)OC(=O)NC2=CC=C(C=C2)Br)O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]([C@@H](CCOC(=O)CS)OC)OC(=O)NC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C21H24BrNO7S/c1-27-17-8-3-13(11-16(17)24)20(18(28-2)9-10-29-19(25)12-31)30-21(26)23-15-6-4-14(22)5-7-15/h3-8,11,18,20,24,31H,9-10,12H2,1-2H3,(H,23,26)/t18-,20-/m1/s1