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

Systemtic Name: ethyl 2-[(5-bromanyl-1-benzofuran-2-yl)carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromobenzofuran-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(5-bromo-2-benzofuranyl)-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-1-benzofuran-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-bromobenzofuran-2-carbonyl)amino]-6-methyl-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=C1CCC(C2)C)NC(=O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C21H20BrNO4S/c1-3-26-21(25)18-14-6-4-11(2)8-17(14)28-20(18)23-19(24)16-10-12-9-13(22)5-7-15(12)27-16/h5,7,9-11H,3-4,6,8H2,1-2H3,(H,23,24)