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

Systemtic Name: 4-[(3S)-5-(4-methylsulfanylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-5-(4-methylsulfanylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-5-[4-(methylthio)phenyl]-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(4-methylsulfanylphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(5S)-3-[4-(methylthio)phenyl]-5-quinoxalin-6-yl-2-pyrazolin-1-yl]butyrate Formula: C22H19N4O3S- MolecularWeight: 419.47626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCC(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C22H20N4O3S/c1-30-16-5-2-14(3-6-16)18-13-20(26(25-18)21(27)8-9-22(28)29)15-4-7-17-19(12-15)24-11-10-23-17/h2-7,10-12,20H,8-9,13H2,1H3,(H,28,29)/p-1/t20-/m0/s1