2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethyl-5-oxidanylidene-2H-pyrrol-2-yl]sulfanyl]-N-pyridin-2-yl-ethanamide

Systemtic Name: 2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethyl-5-oxidanylidene-2H-pyrrol-2-yl]sulfanyl]-N-pyridin-2-yl-ethanamide Openeye Name: 2-[[1-(2,3-dihydrobenzofuran-5-ylmethyl)-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]sulfanyl]-N-(2-pyridyl)acetamide CAS Name: 2-[[1-(2,3-dihydrobenzofuran-5-ylmethyl)-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethyl-5-oxo-2H-pyrrol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide Traditional Name: 2-[[1-(coumaran-5-ylmethyl)-5-keto-3,4-dimethyl-3-pyrrolin-2-yl]thio]-N-(2-pyridyl)acetamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1SCC(=O)NC2=CC=CC=N2)CC3=CC4=C(C=C3)OCC4)C

Isomeric SMILES

CC1=C(C(=O)N(C1SCC(=O)NC2=CC=CC=N2)CC3=CC4=C(C=C3)OCC4)C

InChI

InChI=1S/C22H23N3O3S/c1-14-15(2)22(29-13-20(26)24-19-5-3-4-9-23-19)25(21(14)27)12-16-6-7-18-17(11-16)8-10-28-18/h3-7,9,11,22H,8,10,12-13H2,1-2H3,(H,23,24,26)