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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCC(=O)OCC2=NC3=C(S2)C(=C(C=C3)F)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCC(=O)OCC2=NC3=C(S2)C(=C(C=C3)F)F

InChI

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