methyl 3-chloranyl-6-[(1,3-dimethylpyrazol-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(1,3-dimethylpyrazol-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1,3-dimethylpyrazole-4-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(1,3-dimethyl-4-pyrazolyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1,3-dimethylpyrazole-4-carbonyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

Isomeric SMILES

CC1=NN(C=C1C(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C

InChI

InChI=1S/C16H14ClN3O3S/c1-8-11(7-20(2)19-8)15(21)18-9-4-5-10-12(6-9)24-14(13(10)17)16(22)23-3/h4-7H,1-3H3,(H,18,21)