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

Systemtic Name: [2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl] 2-thiophen-3-ylethanoate Openeye Name: [2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-oxo-ethyl] 2-(3-thienyl)acetate CAS Name: 2-(3-thiophenyl)acetic 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] 2-thiophen-3-ylacetate Traditional Name: 2-(3-thienyl)acetic 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)CC3=CSC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)COC(=O)CC3=CSC=C3)C

InChI

InChI=1S/C20H21N3O3S/c1-13-4-6-17(7-5-13)23-15(3)20(14(2)22-23)21-18(24)11-26-19(25)10-16-8-9-27-12-16/h4-9,12H,10-11H2,1-3H3,(H,21,24)