methyl 2-[[5-(4-bromophenyl)sulfonylfuran-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[5-(4-bromophenyl)sulfonylfuran-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[5-(4-bromophenyl)sulfonylfuran-2-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-(4-bromophenyl)sulfonyl-2-furanyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[5-(4-bromophenyl)sulfonylfuran-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-brosyl-2-furoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H18BrNO6S2 MolecularWeight: 524.40472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(O3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(O3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrNO6S2/c1-28-21(25)18-14-4-2-3-5-16(14)30-20(18)23-19(24)15-10-11-17(29-15)31(26,27)13-8-6-12(22)7-9-13/h6-11H,2-5H2,1H3,(H,23,24)