2-[1-[[4,5-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-5-methyl-2-oxidanylidene-3,4-dihydroquinolin-3-yl]ethanoic acid; ethyl 2-[1-[[4,5-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-8-fluoranyl-2-oxidanylidene-3,4-dihydroquinolin-3-yl]ethanoate

Systemtic Name: 2-[1-[[4,5-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-5-methyl-2-oxidanylidene-3,4-dihydroquinolin-3-yl]ethanoic acid; ethyl 2-[1-[[4,5-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-8-fluoranyl-2-oxidanylidene-3,4-dihydroquinolin-3-yl]ethanoate Openeye Name: 2-[1-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-5-methyl-2-oxo-3,4-dihydroquinolin-3-yl]acetic acid; ethyl 2-[1-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-8-fluoro-2-oxo-3,4-dihydroquinolin-3-yl]acetate CAS Name: 2-[1-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-8-fluoro-2-oxo-3,4-dihydroquinolin-3-yl]acetic acid ethyl ester; 2-[1-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-5-methyl-2-oxo-3,4-dihydroquinolin-3-yl]acetic acid IUPAC Name: 2-[1-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-5-methyl-2-oxo-3,4-dihydroquinolin-3-yl]acetic acid; ethyl 2-[1-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-8-fluoro-2-oxo-3,4-dihydroquinolin-3-yl]acetate Traditional Name: 2-[1-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-8-fluoro-2-keto-3,4-dihydroquinolin-3-yl]acetic acid ethyl ester; 2-[1-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-2-keto-5-methyl-3,4-dihydroquinolin-3-yl]acetic acid Formula: C41H33F5N4O6S2 MolecularWeight: 836.845936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CC2=C(C(=CC=C2)F)N(C1=O)CC3=NC4=C(S3)C=CC(=C4F)F.CC1=C2CC(C(=O)N(C2=CC=C1)CC3=NC4=C(S3)C=CC(=C4F)F)CC(=O)O

Isomeric SMILES

CCOC(=O)CC1CC2=C(C(=CC=C2)F)N(C1=O)CC3=NC4=C(S3)C=CC(=C4F)F.CC1=C2CC(C(=O)N(C2=CC=C1)CC3=NC4=C(S3)C=CC(=C4F)F)CC(=O)O

InChI

InChI=1S/C21H17F3N2O3S.C20H16F2N2O3S/c1-2-29-17(27)9-12-8-11-4-3-5-14(23)20(11)26(21(12)28)10-16-25-19-15(30-16)7-6-13(22)18(19)24;1-10-3-2-4-14-12(10)7-11(8-17(25)26)20(27)24(14)9-16-23-19-15(28-16)6-5-13(21)18(19)22/h3-7,12H,2,8-10H2,1H3;2-6,11H,7-9H2,1H3,(H,25,26)