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

Systemtic Name: dimethyl 5-[(3-methoxycarbonyl-5-methyl-thiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H18N2O6S2/c1-9-5-13(17(23)26-4)14(28-9)20-18(27)19-12-7-10(15(21)24-2)6-11(8-12)16(22)25-3/h5-8H,1-4H3,(H2,19,20,27)