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

Systemtic Name: 2-[[6,7-bis(fluoranyl)-1,3-benzothiazol-2-yl]methyl]-4-oxidanylidene-4-phenylazanyl-butanoic acid Openeye Name: 4-anilino-2-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-4-oxo-butanoic acid CAS Name: 4-anilino-2-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-4-oxobutanoic acid IUPAC Name: 4-anilino-2-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-4-oxobutanoic acid Traditional Name: 4-anilino-2-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-4-keto-butyric acid Formula: C18H14F2N2O3S MolecularWeight: 376.377166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CC(CC2=NC3=C(S2)C(=C(C=C3)F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CC(CC2=NC3=C(S2)C(=C(C=C3)F)F)C(=O)O

InChI

InChI=1S/C18H14F2N2O3S/c19-12-6-7-13-17(16(12)20)26-15(22-13)9-10(18(24)25)8-14(23)21-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,21,23)(H,24,25)