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

Systemtic Name: 5-oxidanylidene-5-[(3S)-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]pentanoate Openeye Name: 5-oxo-5-[(3S)-5-phenyl-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]pentanoate CAS Name: 5-oxo-5-[(3S)-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]pentanoate IUPAC Name: 5-oxo-5-[(3S)-5-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]pentanoate Traditional Name: 5-keto-5-[(5S)-3-phenyl-5-(2-thienyl)-2-pyrazolin-1-yl]valerate Formula: C18H17N2O3S- MolecularWeight: 341.40418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)[O-])C3=CC=CS3

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C18H18N2O3S/c21-17(9-4-10-18(22)23)20-15(16-8-5-11-24-16)12-14(19-20)13-6-2-1-3-7-13/h1-3,5-8,11,15H,4,9-10,12H2,(H,22,23)/p-1/t15-/m0/s1