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

Systemtic Name: 4-oxidanylidene-4-[(3S)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]butanoate Openeye Name: 4-oxo-4-[(3S)-3-quinoxalin-6-yl-5-(3-thienyl)-3,4-dihydropyrazol-2-yl]butanoate CAS Name: 4-oxo-4-[(3S)-3-(6-quinoxalinyl)-5-(3-thiophenyl)-3,4-dihydropyrazol-2-yl]butanoate IUPAC Name: 4-oxo-4-[(3S)-3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]butanoate Traditional Name: 4-keto-4-[(5S)-5-quinoxalin-6-yl-3-(3-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=CSC=C2)C(=O)CCC(=O)[O-])C3=CC4=NC=CN=C4C=C3

Isomeric SMILES

C1[C@H](N(N=C1C2=CSC=C2)C(=O)CCC(=O)[O-])C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C19H16N4O3S/c24-18(3-4-19(25)26)23-17(10-15(22-23)13-5-8-27-11-13)12-1-2-14-16(9-12)21-7-6-20-14/h1-2,5-9,11,17H,3-4,10H2,(H,25,26)/p-1/t17-/m0/s1