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

Systemtic Name: ethyl 2-[2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyridin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridyl]acetyl]amino]benzoate CAS Name: 2-[[2-[5-methoxy-2-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxo-1-pyridinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[5-methoxy-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxopyridin-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-keto-5-methoxy-2-[[(1-methylimidazol-2-yl)thio]methyl]-1-pyridyl]acetyl]amino]benzoic acid ethyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C=C(C(=O)C=C2CSC3=NC=CN3C)OC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C=C(C(=O)C=C2CSC3=NC=CN3C)OC

InChI

InChI=1S/C22H24N4O5S/c1-4-31-21(29)16-7-5-6-8-17(16)24-20(28)13-26-12-19(30-3)18(27)11-15(26)14-32-22-23-9-10-25(22)2/h5-12H,4,13-14H2,1-3H3,(H,24,28)