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

Systemtic Name: methyl 4-[2-[5-methoxy-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxidanylidene-pyridin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[5-methoxy-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxo-1-pyridyl]acetyl]amino]benzoate CAS Name: 4-[[2-[5-methoxy-2-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-1-pyridinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-methoxy-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyridin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-5-methoxy-2-[[(4-methylpyrimidin-2-yl)thio]methyl]-1-pyridyl]acetyl]amino]benzoic acid methyl ester Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=CC(=O)C(=CN2CC(=O)NC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=CC(=O)C(=CN2CC(=O)NC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C22H22N4O5S/c1-14-8-9-23-22(24-14)32-13-17-10-18(27)19(30-2)11-26(17)12-20(28)25-16-6-4-15(5-7-16)21(29)31-3/h4-11H,12-13H2,1-3H3,(H,25,28)