2-[1-[[6,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-2-oxidanylidene-3,4-dihydroquinolin-3-yl]ethanoic acid; ethyl 2-[1-[[4,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-2-oxidanylidene-3,4-dihydroquinolin-3-yl]ethanoate

Systemtic Name: 2-[1-[[6,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-2-oxidanylidene-3,4-dihydroquinolin-3-yl]ethanoic acid; ethyl 2-[1-[[4,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-2-oxidanylidene-3,4-dihydroquinolin-3-yl]ethanoate Openeye Name: 2-[1-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]acetic acid; ethyl 2-[1-[(4,7-difluoro-1,3-benzothiazol-2-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]acetate CAS Name: 2-[1-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]acetic acid; 2-[1-[(4,7-difluoro-1,3-benzothiazol-2-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]acetic acid ethyl ester IUPAC Name: 2-[1-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]acetic acid; ethyl 2-[1-[(4,7-difluoro-1,3-benzothiazol-2-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]acetate Traditional Name: 2-[1-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-2-keto-3,4-dihydroquinolin-3-yl]acetic acid; 2-[1-[(4,7-difluoro-1,3-benzothiazol-2-yl)methyl]-2-keto-3,4-dihydroquinolin-3-yl]acetic acid ethyl ester Formula: C40H32F4N4O6S2 MolecularWeight: 804.828893

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CC2=CC=CC=C2N(C1=O)CC3=NC4=C(C=CC(=C4S3)F)F.C1C(C(=O)N(C2=CC=CC=C21)CC3=NC4=C(S3)C(=C(C=C4)F)F)CC(=O)O

Isomeric SMILES

CCOC(=O)CC1CC2=CC=CC=C2N(C1=O)CC3=NC4=C(C=CC(=C4S3)F)F.C1C(C(=O)N(C2=CC=CC=C21)CC3=NC4=C(S3)C(=C(C=C4)F)F)CC(=O)O

InChI

InChI=1S/C21H18F2N2O3S.C19H14F2N2O3S/c1-2-28-18(26)10-13-9-12-5-3-4-6-16(12)25(21(13)27)11-17-24-19-14(22)7-8-15(23)20(19)29-17;20-12-5-6-13-18(17(12)21)27-15(22-13)9-23-14-4-2-1-3-10(14)7-11(19(23)26)8-16(24)25/h3-8,13H,2,9-11H2,1H3;1-6,11H,7-9H2,(H,24,25)