ethyl 2-[(1,5-dimethylpyrazol-3-yl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1,5-dimethylpyrazol-3-yl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=NN(C(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3=NN(C(=C3)C)C

InChI

InChI=1S/C17H17N3O3S/c1-4-23-17(22)14-11-7-5-6-8-13(11)24-16(14)18-15(21)12-9-10(2)20(3)19-12/h5-9H,4H2,1-3H3,(H,18,21)