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

Systemtic Name: methyl 2-(2-azanyl-1,3-benzothiazol-6-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C11H9F3N2O3S MolecularWeight: 306.26097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9F3N2O3S/c1-19-8(17)10(18,11(12,13)14)5-2-3-6-7(4-5)20-9(15)16-6/h2-4,18H,1H3,(H2,15,16)