methyl 2-[(2-chloranylpyridin-3-yl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-chloranylpyridin-3-yl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloro-3-pyridyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[(2-chloro-3-pyridinyl)amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloropyridin-3-yl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(2-chloro-3-pyridyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C14H14ClN3O2S2 MolecularWeight: 355.86286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N=CC=C2)Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N=CC=C2)Cl)C

InChI

InChI=1S/C14H14ClN3O2S2/c1-7-8(2)22-12(10(7)13(19)20-3)18-14(21)17-9-5-4-6-16-11(9)15/h4-6H,1-3H3,(H2,17,18,21)