4-[[6,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl-(3-methylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[6,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl-(3-methylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[N-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-methyl-anilino]-4-oxo-butanoic acid CAS Name: 4-[N-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-methylanilino]-4-oxobutanoic acid IUPAC Name: 4-[N-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-methylanilino]-4-oxobutanoic acid Traditional Name: 4-[N-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-methyl-anilino]-4-keto-butyric acid Formula: C19H16F2N2O3S MolecularWeight: 390.403746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=NC3=C(S2)C(=C(C=C3)F)F)C(=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=NC3=C(S2)C(=C(C=C3)F)F)C(=O)CCC(=O)O

InChI

InChI=1S/C19H16F2N2O3S/c1-11-3-2-4-12(9-11)23(16(24)7-8-17(25)26)10-15-22-14-6-5-13(20)18(21)19(14)27-15/h2-6,9H,7-8,10H2,1H3,(H,25,26)