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

Systemtic Name: methyl 6-[2-(4-bromanyl-3-methyl-pyrazol-1-yl)propanoylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[2-(4-bromo-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[2-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[2-(4-bromo-3-methyl-pyrazol-1-yl)propanoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C17H15BrClN3O3S MolecularWeight: 456.7413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Br)C(C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=NN(C=C1Br)C(C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C17H15BrClN3O3S/c1-8-12(18)7-22(21-8)9(2)16(23)20-10-4-5-11-13(6-10)26-15(14(11)19)17(24)25-3/h4-7,9H,1-3H3,(H,20,23)