ethyl 5-[(1-tert-butyl-5-ethyl-pyrazol-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[(1-tert-butyl-5-ethyl-pyrazol-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[(1-tert-butyl-5-ethyl-pyrazole-4-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[(1-tert-butyl-5-ethyl-4-pyrazolyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(1-tert-butyl-5-ethyl-pyrazole-4-carbonyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C(C)(C)C)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OCC

Isomeric SMILES

CCC1=C(C=NN1C(C)(C)C)C(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OCC

InChI

InChI=1S/C21H25N3O3S/c1-6-16-15(12-22-24(16)21(3,4)5)19(25)23-14-8-9-17-13(10-14)11-18(28-17)20(26)27-7-2/h8-12H,6-7H2,1-5H3,(H,23,25)