methyl 6-[[4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[[4-bromanyl-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[4-bromo-1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-oxomethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[4-bromo-1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C16H10BrClF3N3O3S MolecularWeight: 496.68611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)Br)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)Br)C(F)(F)F

InChI

InChI=1S/C16H10BrClF3N3O3S/c1-24-13(16(19,20)21)9(17)11(23-24)14(25)22-6-3-4-7-8(5-6)28-12(10(7)18)15(26)27-2/h3-5H,1-2H3,(H,22,25)