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

Systemtic Name: 5-[(3S)-3-(4-methylphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-oxo-5-[(3S)-3-(p-tolyl)-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]pentanoate CAS Name: 5-[(3S)-3-(4-methylphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3S)-3-(4-methylphenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-keto-5-[(5S)-5-(p-tolyl)-3-(2-thienyl)-3-pyrazolin-1-yl]valerate Formula: C19H19N2O3S- MolecularWeight: 355.43076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C=C(NN2C(=O)CCCC(=O)[O-])C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)CCCC(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C19H20N2O3S/c1-13-7-9-14(10-8-13)16-12-15(17-4-3-11-25-17)20-21(16)18(22)5-2-6-19(23)24/h3-4,7-12,16,20H,2,5-6H2,1H3,(H,23,24)/p-1/t16-/m0/s1