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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylpyrazol-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(4-methyl-1-pyrazolyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2C=C(C=N2)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2C=C(C=N2)C)C(=O)OC)C

InChI

InChI=1S/C17H22N4O3S2/c1-6-20(7-2)15(22)13-11(4)12(16(23)24-5)14(26-13)19-17(25)21-9-10(3)8-18-21/h8-9H,6-7H2,1-5H3,(H,19,25)