ethyl 6-tert-butyl-2-[(2-methylpyrazol-3-yl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[(2-methylpyrazol-3-yl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[(2-methylpyrazole-3-carbonyl)amino]benzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[(2-methyl-3-pyrazolyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[(2-methylpyrazole-3-carbonyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[(2-methylpyrazole-3-carbonyl)amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2)C(C)(C)C)NC(=O)C3=CC=NN3C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2)C(C)(C)C)NC(=O)C3=CC=NN3C

InChI

InChI=1S/C20H23N3O3S/c1-6-26-19(25)16-13-8-7-12(20(2,3)4)11-15(13)27-18(16)22-17(24)14-9-10-21-23(14)5/h7-11H,6H2,1-5H3,(H,22,24)