[(3R,4R)-4-(5-bromanyl-2-oxidanyl-phenyl)-3-ethoxy-4-[(4-methylsulfanylphenyl)carbamoyloxy]butyl] 2-sulfanylethanoate

Systemtic Name: [(3R,4R)-4-(5-bromanyl-2-oxidanyl-phenyl)-3-ethoxy-4-[(4-methylsulfanylphenyl)carbamoyloxy]butyl] 2-sulfanylethanoate Openeye Name: [(3R,4R)-4-(5-bromo-2-hydroxy-phenyl)-3-ethoxy-4-[(4-methylsulfanylphenyl)carbamoyloxy]butyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(3R,4R)-4-(5-bromo-2-hydroxyphenyl)-3-ethoxy-4-[[4-(methylthio)anilino]-oxomethoxy]butyl] ester IUPAC Name: [(3R,4R)-4-(5-bromo-2-hydroxyphenyl)-3-ethoxy-4-[(4-methylsulfanylphenyl)carbamoyloxy]butyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(3R,4R)-4-(5-bromo-2-hydroxy-phenyl)-3-ethoxy-4-[[4-(methylthio)phenyl]carbamoyloxy]butyl] ester Formula: C22H26BrNO6S2 MolecularWeight: 544.47894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO6S2/c1-3-28-19(10-11-29-20(26)13-31)21(17-12-14(23)4-9-18(17)25)30-22(27)24-15-5-7-16(32-2)8-6-15/h4-9,12,19,21,25,31H,3,10-11,13H2,1-2H3,(H,24,27)/t19-,21-/m1/s1