[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C22H18BrNO5S2 MolecularWeight: 520.41602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=C(S4)Br

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=C(S4)Br

InChI

InChI=1S/C22H18BrNO5S2/c23-21-11-10-20(30-21)19(25)14-29-22(26)16-6-3-8-17(13-16)31(27,28)24-12-4-7-15-5-1-2-9-18(15)24/h1-3,5-6,8-11,13H,4,7,12,14H2