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

Systemtic Name: methyl 6-[[4,5-bis(bromanyl)-1H-pyrazol-3-yl]carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4,5-dibromo-1H-pyrazole-3-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4,5-dibromo-1H-pyrazol-3-yl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4,5-dibromo-1H-pyrazole-3-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4,5-dibromo-1H-pyrazole-3-carbonyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C14H8Br2ClN3O3S MolecularWeight: 493.55762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=NNC(=C3Br)Br)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=NNC(=C3Br)Br)Cl

InChI

InChI=1S/C14H8Br2ClN3O3S/c1-23-14(22)11-9(17)6-3-2-5(4-7(6)24-11)18-13(21)10-8(15)12(16)20-19-10/h2-4H,1H3,(H,18,21)(H,19,20)