ethyl 6-tert-butyl-2-[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[(4-chloro-2-methyl-pyrazole-3-carbonyl)amino]benzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[(4-chloro-2-methyl-3-pyrazolyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[(4-chloro-2-methylpyrazole-3-carbonyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[(4-chloro-2-methyl-pyrazole-3-carbonyl)amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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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=C(C=NN3C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S/c1-6-27-19(26)15-12-8-7-11(20(2,3)4)9-14(12)28-18(15)23-17(25)16-13(21)10-22-24(16)5/h7-10H,6H2,1-5H3,(H,23,25)