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

Systemtic Name: ethyl 4-cyano-5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)C)C#N)C

InChI

InChI=1S/C21H20N4O3S/c1-5-28-21(27)18-14(4)17(11-22)20(29-18)23-19(26)15-6-8-16(9-7-15)25-13(3)10-12(2)24-25/h6-10H,5H2,1-4H3,(H,23,26)