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: 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: 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-[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: 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-[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: C25H25F3N2O3S MolecularWeight: 490.53781

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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

Isomeric SMILES

CCCCC1=CC2=C(CC(C(=O)N2CC3=NC4=C(C(=CC(=C4S3)F)F)F)CC(=O)OCC)C=C1

InChI

InChI=1S/C25H25F3N2O3S/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/h7-9,12,16H,3-6,10-11,13H2,1-2H3