ethyl 5-(4-methylphenyl)carbonyl-4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-methylphenyl)carbonyl-4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-methylbenzoyl)-4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate CAS Name: 5-[(4-methylphenyl)-oxomethyl]-4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methylbenzoyl)-4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylate Traditional Name: 5-p-toluoyl-4-(2-thienyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(C1C2=CC=CS2)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=NNC(C1C2=CC=CS2)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H18N2O3S/c1-3-23-18(22)16-14(13-5-4-10-24-13)15(19-20-16)17(21)12-8-6-11(2)7-9-12/h4-10,14-15,19H,3H2,1-2H3