N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyridin-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyridin-1-yl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-methoxy-2-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxo-1-pyridinyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxopyridin-1-yl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-keto-5-methoxy-2-[[(1-methylimidazol-2-yl)thio]methyl]-1-pyridyl]acetamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=CC(=O)C(=CN2CC(=O)NC3=CC4=C(C=C3)OCCO4)OC

Isomeric SMILES

CN1C=CN=C1SCC2=CC(=O)C(=CN2CC(=O)NC3=CC4=C(C=C3)OCCO4)OC

InChI

InChI=1S/C21H22N4O5S/c1-24-6-5-22-21(24)31-13-15-10-16(26)19(28-2)11-25(15)12-20(27)23-14-3-4-17-18(9-14)30-8-7-29-17/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,23,27)