dimethyl 3-methyl-5-[(3-methylpyridin-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[(3-methylpyridin-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(3-methyl-2-pyridyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(3-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(3-methylpyridin-2-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(3-methyl-2-pyridyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=C(N=CC=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C16H17N3O4S2/c1-8-6-5-7-17-12(8)18-16(24)19-13-10(14(20)22-3)9(2)11(25-13)15(21)23-4/h5-7H,1-4H3,(H2,17,18,19,24)