ethyl 2-[1-[[4,5-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-7-ethyl-2-oxidanylidene-3,4-dihydroquinolin-3-yl]ethanoate; 2-[5-ethyl-2-oxidanylidene-1-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-3,4-dihydroquinolin-3-yl]ethanoic acid

Systemtic Name: ethyl 2-[1-[[4,5-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-7-ethyl-2-oxidanylidene-3,4-dihydroquinolin-3-yl]ethanoate; 2-[5-ethyl-2-oxidanylidene-1-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-3,4-dihydroquinolin-3-yl]ethanoic acid Openeye Name: ethyl 2-[1-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-7-ethyl-2-oxo-3,4-dihydroquinolin-3-yl]acetate; 2-[5-ethyl-2-oxo-1-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3,4-dihydroquinolin-3-yl]acetic acid CAS Name: 2-[1-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-7-ethyl-2-oxo-3,4-dihydroquinolin-3-yl]acetic acid ethyl ester; 2-[5-ethyl-2-oxo-1-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3,4-dihydroquinolin-3-yl]acetic acid IUPAC Name: ethyl 2-[1-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-7-ethyl-2-oxo-3,4-dihydroquinolin-3-yl]acetate; 2-[5-ethyl-2-oxo-1-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3,4-dihydroquinolin-3-yl]acetic acid Traditional Name: 2-[1-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-7-ethyl-2-keto-3,4-dihydroquinolin-3-yl]acetic acid ethyl ester; 2-[5-ethyl-2-keto-1-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3,4-dihydroquinolin-3-yl]acetic acid Formula: C44H39F5N4O6S2 MolecularWeight: 878.925676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(CC(C(=O)N2CC3=NC4=C(S3)C=CC(=C4F)F)CC(=O)OCC)C=C1.CCC1=C2CC(C(=O)N(C2=CC=C1)CC3=NC4=C(C(=CC(=C4S3)F)F)F)CC(=O)O

Isomeric SMILES

CCC1=CC2=C(CC(C(=O)N2CC3=NC4=C(S3)C=CC(=C4F)F)CC(=O)OCC)C=C1.CCC1=C2CC(C(=O)N(C2=CC=C1)CC3=NC4=C(C(=CC(=C4S3)F)F)F)CC(=O)O

InChI

InChI=1S/C23H22F2N2O3S.C21H17F3N2O3S/c1-3-13-5-6-14-10-15(11-20(28)30-4-2)23(29)27(17(14)9-13)12-19-26-22-18(31-19)8-7-16(24)21(22)25;1-2-10-4-3-5-15-12(10)6-11(7-17(27)28)21(29)26(15)9-16-25-19-18(24)13(22)8-14(23)20(19)30-16/h5-9,15H,3-4,10-12H2,1-2H3;3-5,8,11H,2,6-7,9H2,1H3,(H,27,28)