ethyl 4-[(3-chlorophenyl)-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(3-chlorophenyl)-[[4,5,7-tris(fluoranyl)-1,3-benzothiazol-2-yl]methyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-chloro-N-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxo-butanoate CAS Name: 4-[3-chloro-N-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-chloro-N-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-oxobutanoate Traditional Name: 4-[3-chloro-N-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]anilino]-4-keto-butyric acid ethyl ester Formula: C20H16ClF3N2O3S MolecularWeight: 456.86585

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CC1=NC2=C(C(=CC(=C2S1)F)F)F)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)CCC(=O)N(CC1=NC2=C(C(=CC(=C2S1)F)F)F)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H16ClF3N2O3S/c1-2-29-17(28)7-6-16(27)26(12-5-3-4-11(21)8-12)10-15-25-19-18(24)13(22)9-14(23)20(19)30-15/h3-5,8-9H,2,6-7,10H2,1H3