[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NC2=CC=NN2C3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NC2=CC=NN2C3CCCC3)C

InChI

InChI=1S/C20H25N3O3S/c1-14-7-8-17(15(2)11-14)27-13-20(25)26-12-19(24)22-18-9-10-21-23(18)16-5-3-4-6-16/h7-11,16H,3-6,12-13H2,1-2H3,(H,22,24)