(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N2O3S/c1-15-18(16(2)23(22-15)17-8-4-3-5-9-17)14-21(25)26-12-6-10-19(24)20-11-7-13-27-20/h3-5,7-9,11,13H,6,10,12,14H2,1-2H3