ethyl 4-cyano-5-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[2-(3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]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)CN2C(=CC(=N2)C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2C(=CC(=N2)C)C)C#N)C

InChI

InChI=1S/C16H18N4O3S/c1-5-23-16(22)14-11(4)12(7-17)15(24-14)18-13(21)8-20-10(3)6-9(2)19-20/h6H,5,8H2,1-4H3,(H,18,21)