butyl 2-[2,2,2-tris(fluoranyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[2,2,2-tris(fluoranyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(2,2,2-trifluoroacetyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2,2,2-trifluoro-1-oxoethyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(2,2,2-trifluoroacetyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2,2,2-trifluoroacetyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C14H13F3N2O3S MolecularWeight: 346.32483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(F)(F)F

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(F)(F)F

InChI

InChI=1S/C14H13F3N2O3S/c1-2-3-6-22-11(20)8-4-5-9-10(7-8)23-13(18-9)19-12(21)14(15,16)17/h4-5,7H,2-3,6H2,1H3,(H,18,19,21)