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

Systemtic Name: 2-[5-bromanyl-2-oxidanylidene-1-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-3,4-dihydroquinolin-3-yl]ethanoic acid; ethyl 2-[7-butyl-2-oxidanylidene-1-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-3,4-dihydroquinolin-3-yl]ethanoate Openeye Name: 2-[5-bromo-2-oxo-1-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3,4-dihydroquinolin-3-yl]acetic acid; ethyl 2-[7-butyl-2-oxo-1-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3,4-dihydroquinolin-3-yl]acetate CAS Name: 2-[5-bromo-2-oxo-1-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3,4-dihydroquinolin-3-yl]acetic acid; 2-[7-butyl-2-oxo-1-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3,4-dihydroquinolin-3-yl]acetic acid ethyl ester IUPAC Name: 2-[5-bromo-2-oxo-1-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3,4-dihydroquinolin-3-yl]acetic acid; ethyl 2-[7-butyl-2-oxo-1-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3,4-dihydroquinolin-3-yl]acetate Traditional Name: 2-[5-bromo-2-keto-1-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3,4-dihydroquinolin-3-yl]acetic acid; 2-[7-butyl-2-keto-1-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-3,4-dihydroquinolin-3-yl]acetic acid ethyl ester Formula: C44H37BrF6N4O6S2 MolecularWeight: 975.812199

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(CC(C(=O)N2CC3=NC4=C(C(=CC(=C4S3)F)F)F)CC(=O)OCC)C=C1.C1C(C(=O)N(C2=C1C(=CC=C2)Br)CC3=NC4=C(C(=CC(=C4S3)F)F)F)CC(=O)O

Isomeric SMILES

CCCCC1=CC2=C(CC(C(=O)N2CC3=NC4=C(C(=CC(=C4S3)F)F)F)CC(=O)OCC)C=C1.C1C(C(=O)N(C2=C1C(=CC=C2)Br)CC3=NC4=C(C(=CC(=C4S3)F)F)F)CC(=O)O

InChI

InChI=1S/C25H25F3N2O3S.C19H12BrF3N2O3S/c1-3-5-6-14-7-8-15-10-16(11-21(31)33-4-2)25(32)30(19(15)9-14)13-20-29-23-22(28)17(26)12-18(27)24(23)34-20;20-10-2-1-3-13-9(10)4-8(5-15(26)27)19(28)25(13)7-14-24-17-16(23)11(21)6-12(22)18(17)29-14/h7-9,12,16H,3-6,10-11,13H2,1-2H3;1-3,6,8H,4-5,7H2,(H,26,27)