2,2,2-tris(fluoranyl)ethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoate Openeye Name: 2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxo-butanoate CAS Name: 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate Traditional Name: 4-(1,3-benzothiazol-2-ylamino)-4-keto-butyric acid 2,2,2-trifluoroethyl ester Formula: C13H11F3N2O3S MolecularWeight: 332.29825

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCC(=O)OCC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCC(=O)OCC(F)(F)F

InChI

InChI=1S/C13H11F3N2O3S/c14-13(15,16)7-21-11(20)6-5-10(19)18-12-17-8-3-1-2-4-9(8)22-12/h1-4H,5-7H2,(H,17,18,19)