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

Systemtic Name: 5-[(3R)-5-(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3R)-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-(2-thienyl)-1,3-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3R)-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3R)-5-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-3-thiophen-2-yl-1,3-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5R)-3-(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)-5-(2-thienyl)-3-pyrazolin-1-yl]-5-keto-valerate Formula: C27H21ClN3O4S- MolecularWeight: 518.99134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C4=CC(N(N4)C(=O)CCCC(=O)[O-])C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C4=C[C@@H](N(N4)C(=O)CCCC(=O)[O-])C5=CC=CS5

InChI

InChI=1S/C27H22ClN3O4S/c28-17-11-12-19-18(14-17)25(16-6-2-1-3-7-16)26(27(35)29-19)20-15-21(22-8-5-13-36-22)31(30-20)23(32)9-4-10-24(33)34/h1-3,5-8,11-15,21,30H,4,9-10H2,(H,29,35)(H,33,34)/p-1/t21-/m1/s1