ethyl 2-[(6-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(6-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(6-bromo-3-methyl-benzofuran-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(6-bromo-3-methyl-2-benzofuranyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(6-bromo-3-methyl-benzofuran-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H20BrNO4S MolecularWeight: 462.3568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C4=C(O3)C=C(C=C4)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C4=C(O3)C=C(C=C4)Br)C

InChI

InChI=1S/C21H20BrNO4S/c1-3-26-21(25)17-14-6-4-5-7-16(14)28-20(17)23-19(24)18-11(2)13-9-8-12(22)10-15(13)27-18/h8-10H,3-7H2,1-2H3,(H,23,24)