[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate

Systemtic Name: [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [2-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [2-[[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-keto-2-[[5-methyl-2-(p-tolyl)pyrazol-3-yl]amino]ethyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)COC(=O)CCC3=CSC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)COC(=O)CCC3=CSC=C3

InChI

InChI=1S/C20H21N3O3S/c1-14-3-6-17(7-4-14)23-18(11-15(2)22-23)21-19(24)12-26-20(25)8-5-16-9-10-27-13-16/h3-4,6-7,9-11,13H,5,8,12H2,1-2H3,(H,21,24)