methyl 2-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4,6-dimethyl-2-pyridyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(4,6-dimethyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4,6-dimethyl-2-pyridyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H21N3O2S2 MolecularWeight: 363.49754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=CC(=N2)C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=CC(=N2)C)C)C

InChI

InChI=1S/C17H21N3O2S2/c1-6-12-11(4)24-15(14(12)16(21)22-5)20-17(23)19-13-8-9(2)7-10(3)18-13/h7-8H,6H2,1-5H3,(H2,18,19,20,23)