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

Systemtic Name: ethyl 2-[[5-(4-bromophenyl)sulfonylfuran-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H20BrNO6S2 MolecularWeight: 538.4313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO6S2/c1-2-29-22(26)19-15-5-3-4-6-17(15)31-21(19)24-20(25)16-11-12-18(30-16)32(27,28)14-9-7-13(23)8-10-14/h7-12H,2-6H2,1H3,(H,24,25)