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

Systemtic Name: methyl 6-[(4-bromanyl-2-methyl-pyrazol-3-yl)carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(4-bromo-2-methyl-pyrazole-3-carbonyl)amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(4-bromo-2-methyl-pyrazole-3-carbonyl)amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C15H11BrClN3O3S MolecularWeight: 428.68814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrClN3O3S/c1-20-12(9(16)6-18-20)14(21)19-7-3-4-8-10(5-7)24-13(11(8)17)15(22)23-2/h3-6H,1-2H3,(H,19,21)