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

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 Openeye Name: ethyl 2-[1-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-7-ethyl-2-oxo-3,4-dihydroquinolin-3-yl]acetate 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 IUPAC Name: ethyl 2-[1-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-7-ethyl-2-oxo-3,4-dihydroquinolin-3-yl]acetate 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 Formula: C23H22F2N2O3S MolecularWeight: 444.494186

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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

Isomeric SMILES

CCC1=CC2=C(CC(C(=O)N2CC3=NC4=C(S3)C=CC(=C4F)F)CC(=O)OCC)C=C1

InChI

InChI=1S/C23H22F2N2O3S/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/h5-9,15H,3-4,10-12H2,1-2H3