dimethyl 2-[2-(2-hydroxyethylsulfanyl)ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(2-hydroxyethylsulfanyl)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-(2-hydroxyethylthio)-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(2-hydroxyethylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(2-hydroxyethylthio)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSCCO

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSCCO

InChI

InChI=1S/C14H17NO6S/c1-20-13(18)9-3-4-10(14(19)21-2)11(7-9)15-12(17)8-22-6-5-16/h3-4,7,16H,5-6,8H2,1-2H3,(H,15,17)