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

Systemtic Name: methyl 6-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[3-(4-bromopyrazol-1-yl)propanoylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[3-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[3-(4-bromopyrazol-1-yl)propanoylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[3-(4-bromopyrazol-1-yl)propanoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C16H13BrClN3O3S MolecularWeight: 442.71472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)CCN3C=C(C=N3)Br)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)CCN3C=C(C=N3)Br)Cl

InChI

InChI=1S/C16H13BrClN3O3S/c1-24-16(23)15-14(18)11-3-2-10(6-12(11)25-15)20-13(22)4-5-21-8-9(17)7-19-21/h2-3,6-8H,4-5H2,1H3,(H,20,22)