[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetate CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetate Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=C(N(N=C2C)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CSC2=C(N(N=C2C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C23H25N3O3S/c1-15-10-11-19(12-16(15)2)24-21(27)13-29-22(28)14-30-23-17(3)25-26(18(23)4)20-8-6-5-7-9-20/h5-12H,13-14H2,1-4H3,(H,24,27)