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

Systemtic Name: methyl 3-chloranyl-6-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H11ClF3N3O3S MolecularWeight: 417.79005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClF3N3O3S/c1-23-11(16(18,19)20)6-9(22-23)14(24)21-7-3-4-8-10(5-7)27-13(12(8)17)15(25)26-2/h3-6H,1-2H3,(H,21,24)