4-[(3R)-5-(6-methyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3R)-5-(6-methyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3R)-5-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-thienyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoic acid CAS Name: 4-[(3R)-5-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[(3R)-5-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(5R)-3-(2-keto-6-methyl-4-phenyl-1H-quinolin-3-yl)-5-(2-thienyl)-3-pyrazolin-1-yl]butyric acid Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2C3=CC=CC=C3)C4=CC(N(N4)C(=O)CCC(=O)O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2C3=CC=CC=C3)C4=C[C@@H](N(N4)C(=O)CCC(=O)O)C5=CC=CS5

InChI

InChI=1S/C27H23N3O4S/c1-16-9-10-19-18(14-16)25(17-6-3-2-4-7-17)26(27(34)28-19)20-15-21(22-8-5-13-35-22)30(29-20)23(31)11-12-24(32)33/h2-10,13-15,21,29H,11-12H2,1H3,(H,28,34)(H,32,33)/t21-/m1/s1