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

Systemtic Name: methyl 6-[(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[(4-bromo-1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C16H13BrClN3O3S MolecularWeight: 442.71472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)Br

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)Br

InChI

InChI=1S/C16H13BrClN3O3S/c1-7-11(17)13(20-21(7)2)15(22)19-8-4-5-9-10(6-8)25-14(12(9)18)16(23)24-3/h4-6H,1-3H3,(H,19,22)