methyl 6-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[2-(4-bromo-1-pyrazolyl)-1-oxoethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C15H11BrClN3O3S MolecularWeight: 428.68814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)CN3C=C(C=N3)Br)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)CN3C=C(C=N3)Br)Cl

InChI

InChI=1S/C15H11BrClN3O3S/c1-23-15(22)14-13(17)10-3-2-9(4-11(10)24-14)19-12(21)7-20-6-8(16)5-18-20/h2-6H,7H2,1H3,(H,19,21)