ethyl 5-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]carbamoyl]-1-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]carbamoyl]-1-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]carbamoyl]-1-methyl-pyrazole-3-carboxylate CAS Name: 5-[[[3-cyano-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]amino]-oxomethyl]-1-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylate Traditional Name: 5-[[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]carbamoyl]-1-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NN2C)C(=O)OCC)C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NN2C)C(=O)OCC)C#N)C

InChI

InChI=1S/C19H23N5O4S/c1-6-24(7-2)18(26)15-11(4)12(10-20)17(29-15)21-16(25)14-9-13(22-23(14)5)19(27)28-8-3/h9H,6-8H2,1-5H3,(H,21,25)