diethyl 5-[(2-chloranylpyridin-3-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(2-chloranylpyridin-3-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(2-chloro-3-pyridyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(2-chloro-3-pyridinyl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-chloropyridin-3-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2-chloro-3-pyridyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H18ClN3O4S2 MolecularWeight: 427.92552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(N=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C17H18ClN3O4S2/c1-4-24-15(22)11-9(3)12(16(23)25-5-2)27-14(11)21-17(26)20-10-7-6-8-19-13(10)18/h6-8H,4-5H2,1-3H3,(H2,20,21,26)