ethyl 4-cyano-3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(1-propan-2-ylpyrazol-3-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[(1-isopropylpyrazole-3-carbonyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[oxo-(1-propan-2-yl-3-pyrazolyl)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(1-propan-2-ylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-5-[(1-isopropylpyrazole-3-carbonyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2)C(C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2)C(C)C)C#N)C

InChI

InChI=1S/C16H18N4O3S/c1-5-23-16(22)13-10(4)11(8-17)15(24-13)18-14(21)12-6-7-20(19-12)9(2)3/h6-7,9H,5H2,1-4H3,(H,18,21)