(4-pyrazol-1-ylphenyl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid (4-pyrazol-1-ylbenzyl) ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H18N2O3S/c1-14-3-9-18(25-14)17(22)8-10-19(23)24-13-15-4-6-16(7-5-15)21-12-2-11-20-21/h2-7,9,11-12H,8,10,13H2,1H3