methyl 2-(2-azanyl-4-methoxy-1,3-benzothiazol-6-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate

Systemtic Name: methyl 2-(2-azanyl-4-methoxy-1,3-benzothiazol-6-yl)-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate Openeye Name: methyl 2-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: 2-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxypropanoate Traditional Name: 2-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester Formula: C12H11F3N2O4S MolecularWeight: 336.28695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)C(C(=O)OC)(C(F)(F)F)O)SC(=N2)N

Isomeric SMILES

COC1=C2C(=CC(=C1)C(C(=O)OC)(C(F)(F)F)O)SC(=N2)N

InChI

InChI=1S/C12H11F3N2O4S/c1-20-6-3-5(4-7-8(6)17-10(16)22-7)11(19,9(18)21-2)12(13,14)15/h3-4,19H,1-2H3,(H2,16,17)