ethyl 2-[(6-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[(6-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 2-[(6-bromo-3-methyl-benzofuran-2-carbonyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[(6-bromo-3-methyl-2-benzofuranyl)-oxomethyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-[(6-bromo-3-methyl-benzofuran-2-carbonyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)C3=C(C4=C(O3)C=C(C=C4)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=O)C3=C(C4=C(O3)C=C(C=C4)Br)C

InChI

InChI=1S/C21H21BrN2O4S/c1-4-27-21(26)17-14-7-8-24(3)10-16(14)29-20(17)23-19(25)18-11(2)13-6-5-12(22)9-15(13)28-18/h5-6,9H,4,7-8,10H2,1-3H3,(H,23,25)