4-oxidanylidene-4-[(3S)-3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]butanoate

Systemtic Name: 4-oxidanylidene-4-[(3S)-3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]butanoate Openeye Name: 4-oxo-4-[(3S)-3-quinoxalin-6-yl-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]butanoate CAS Name: 4-oxo-4-[(3S)-3-(6-quinoxalinyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]butanoate IUPAC Name: 4-oxo-4-[(3S)-3-quinoxalin-6-yl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]butanoate Traditional Name: 4-keto-4-[(5S)-5-quinoxalin-6-yl-3-(2-thienyl)-2-pyrazolin-1-yl]butyrate Formula: C19H15N4O3S- MolecularWeight: 379.4124

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CCC(=O)[O-])C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C1[C@H](N(N=C1C2=CC=CS2)C(=O)CCC(=O)[O-])C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C19H16N4O3S/c24-18(5-6-19(25)26)23-16(11-15(22-23)17-2-1-9-27-17)12-3-4-13-14(10-12)21-8-7-20-13/h1-4,7-10,16H,5-6,11H2,(H,25,26)/p-1/t16-/m0/s1