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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(5-methyl-1-phenyl-pyrazol-4-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[(5-methyl-1-phenyl-pyrazole-4-carbonyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(5-methyl-1-phenyl-pyrazole-4-carbonyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C)C#N)C

InChI

InChI=1S/C20H18N4O3S/c1-4-27-20(26)17-12(2)15(10-21)19(28-17)23-18(25)16-11-22-24(13(16)3)14-8-6-5-7-9-14/h5-9,11H,4H2,1-3H3,(H,23,25)