methyl 4-[2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyridin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyridin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridyl]acetyl]amino]benzoate CAS Name: 4-[[2-[5-methoxy-2-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxo-1-pyridinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxopyridin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-5-methoxy-2-[[(1-methylimidazol-2-yl)thio]methyl]-1-pyridyl]acetyl]amino]benzoic acid methyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S/c1-24-9-8-22-21(24)31-13-16-10-17(26)18(29-2)11-25(16)12-19(27)23-15-6-4-14(5-7-15)20(28)30-3/h4-11H,12-13H2,1-3H3,(H,23,27)