4-[[5,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl-(3-ethoxyphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[5,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl-(3-ethoxyphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[N-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-ethoxy-anilino]-4-oxo-butanoic acid CAS Name: 4-[N-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-ethoxyanilino]-4-oxobutanoic acid IUPAC Name: 4-[N-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-ethoxyanilino]-4-oxobutanoic acid Traditional Name: 4-[N-[(5,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-ethoxy-anilino]-4-keto-butyric acid Formula: C20H18F2N2O4S MolecularWeight: 420.429726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N(CC2=NC3=CC(=CC(=C3S2)F)F)C(=O)CCC(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)N(CC2=NC3=CC(=CC(=C3S2)F)F)C(=O)CCC(=O)O

InChI

InChI=1S/C20H18F2N2O4S/c1-2-28-14-5-3-4-13(10-14)24(18(25)6-7-19(26)27)11-17-23-16-9-12(21)8-15(22)20(16)29-17/h3-5,8-10H,2,6-7,11H2,1H3,(H,26,27)