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

Systemtic Name: 4-[(3S)-3-(4-dimethylaminophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(4-dimethylaminophenyl)-5-(2-thienyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(4-dimethylaminophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(4-dimethylaminophenyl)-5-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(4-dimethylaminophenyl)-3-(2-thienyl)-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C19H20N3O3S- MolecularWeight: 370.4454

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C=C(NN2C(=O)CCC(=O)[O-])C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-21(2)14-7-5-13(6-8-14)16-12-15(17-4-3-11-26-17)20-22(16)18(23)9-10-19(24)25/h3-8,11-12,16,20H,9-10H2,1-2H3,(H,24,25)/p-1/t16-/m0/s1