methyl 4-ethyl-5-methyl-2-[(4-methylpyrazol-1-yl)carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(4-methylpyrazol-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[(4-methyl-1-pyrazolyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C14H17N3O2S2 MolecularWeight: 323.43368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2C=C(C=N2)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2C=C(C=N2)C)C

InChI

InChI=1S/C14H17N3O2S2/c1-5-10-9(3)21-12(11(10)13(18)19-4)16-14(20)17-7-8(2)6-15-17/h6-7H,5H2,1-4H3,(H,16,20)