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

Systemtic Name: dimethyl 2-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[[diethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(diethylthiocarbamoylthio)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C17H22N2O5S2 MolecularWeight: 398.49698

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H22N2O5S2/c1-5-19(6-2)17(25)26-10-14(20)18-13-9-11(15(21)23-3)7-8-12(13)16(22)24-4/h7-9H,5-6,10H2,1-4H3,(H,18,20)