dimethyl 5-[2-(phenylmethylsulfanyl)ethylcarbamoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(phenylmethylsulfanyl)ethylcarbamoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(2-benzylsulfanylethylcarbamoylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[2-(phenylmethylthio)ethylamino]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-benzylsulfanylethylcarbamoylamino)benzene-1,3-dicarboxylate Traditional Name: 5-[2-(benzylthio)ethylcarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)NCCSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)NCCSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O5S/c1-26-18(23)15-10-16(19(24)27-2)12-17(11-15)22-20(25)21-8-9-28-13-14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3,(H2,21,22,25)