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

Systemtic Name: methyl 3-chloranyl-6-[(1,3,5-trimethylpyrazol-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[oxo-(1,3,5-trimethyl-4-pyrazolyl)methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O3S/c1-8-13(9(2)21(3)20-8)16(22)19-10-5-6-11-12(7-10)25-15(14(11)18)17(23)24-4/h5-7H,1-4H3,(H,19,22)