5-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3S)-3-(4-fluorophenyl)-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5S)-5-(4-fluorophenyl)-3-(2-thienyl)-3-pyrazolin-1-yl]-5-keto-valerate Formula: C18H16FN2O3S- MolecularWeight: 359.394643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(N(N2)C(=O)CCCC(=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

C1=CSC(=C1)C2=C[C@H](N(N2)C(=O)CCCC(=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN2O3S/c19-13-8-6-12(7-9-13)15-11-14(16-3-2-10-25-16)20-21(15)17(22)4-1-5-18(23)24/h2-3,6-11,15,20H,1,4-5H2,(H,23,24)/p-1/t15-/m0/s1