dimethyl 2-[(4-ethyl-3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(4-ethyl-3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thienyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-ethyl-3-methoxycarbonyl-5-methylthiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(3-carbomethoxy-4-ethyl-5-methyl-2-thienyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C

InChI

InChI=1S/C20H22N2O6S2/c1-6-12-10(2)30-16(15(12)19(25)28-5)22-20(29)21-14-9-11(17(23)26-3)7-8-13(14)18(24)27-4/h7-9H,6H2,1-5H3,(H2,21,22,29)