ethyl 2-(2-azanyl-1,3-benzothiazol-6-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate

Systemtic Name: ethyl 2-(2-azanyl-1,3-benzothiazol-6-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Openeye Name: ethyl 2-(2-amino-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: 2-(2-amino-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxypropanoate Traditional Name: 2-(2-amino-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester Formula: C12H11F3N2O3S MolecularWeight: 320.28755

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC2=C(C=C1)N=C(S2)N)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C(C1=CC2=C(C=C1)N=C(S2)N)(C(F)(F)F)O

InChI

InChI=1S/C12H11F3N2O3S/c1-2-20-9(18)11(19,12(13,14)15)6-3-4-7-8(5-6)21-10(16)17-7/h3-5,19H,2H2,1H3,(H2,16,17)