[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl] 3-methylthiophene-2-carboxylate

Systemtic Name: [2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl] 3-methylthiophene-2-carboxylate Openeye Name: [2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-oxo-ethyl] 3-methylthiophene-2-carboxylate CAS Name: 3-methyl-2-thiophenecarboxylic acid [2-[[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate Traditional Name: 3-methylthiophene-2-carboxylic acid [2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-keto-ethyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)COC(=O)C3=C(C=CS3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)COC(=O)C3=C(C=CS3)C)C

InChI

InChI=1S/C20H21N3O3S/c1-12-5-7-16(8-6-12)23-15(4)18(14(3)22-23)21-17(24)11-26-20(25)19-13(2)9-10-27-19/h5-10H,11H2,1-4H3,(H,21,24)