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

Systemtic Name: ethyl 6-tert-butyl-2-[(6-chloranylpyridin-3-yl)carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[(6-chloropyridine-3-carbonyl)amino]benzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[(6-chloro-3-pyridinyl)-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[(6-chloropyridine-3-carbonyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[(6-chloronicotinoyl)amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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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=CN=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3S/c1-5-27-20(26)17-14-8-7-13(21(2,3)4)10-15(14)28-19(17)24-18(25)12-6-9-16(22)23-11-12/h6-11H,5H2,1-4H3,(H,24,25)