4-[(3R)-5-(4-ethylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3R)-5-(4-ethylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3R)-5-(4-ethylphenyl)-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3R)-5-(4-ethylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-5-(4-ethylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5R)-3-(4-ethylphenyl)-5-(2-thienyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C19H19N2O3S- MolecularWeight: 355.43076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CS3)C(=O)CCC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=CS3)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C19H20N2O3S/c1-2-13-5-7-14(8-6-13)15-12-16(17-4-3-11-25-17)21(20-15)18(22)9-10-19(23)24/h3-8,11,16H,2,9-10,12H2,1H3,(H,23,24)/p-1/t16-/m1/s1