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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C=C(S2)C)C(=O)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C=C(S2)C)C(=O)OC)C(=O)OCC

InChI

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