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

Systemtic Name: methyl 6-[(4-bromanyl-1H-pyrazol-5-yl)carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[(4-bromo-1H-pyrazol-5-yl)-oxomethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C14H9BrClN3O3S MolecularWeight: 414.66156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=C(C=NN3)Br)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=C(C=NN3)Br)Cl

InChI

InChI=1S/C14H9BrClN3O3S/c1-22-14(21)12-10(16)7-3-2-6(4-9(7)23-12)18-13(20)11-8(15)5-17-19-11/h2-5H,1H3,(H,17,19)(H,18,20)