[2-methyl-3-(phenylcarbonyloxy)-5-(sulfanylmethyl)pyridin-4-yl]methyl benzoate

Systemtic Name: [2-methyl-3-(phenylcarbonyloxy)-5-(sulfanylmethyl)pyridin-4-yl]methyl benzoate Openeye Name: [3-benzoyloxy-2-methyl-5-(sulfanylmethyl)-4-pyridyl]methyl benzoate CAS Name: benzoic acid [3-benzoyloxy-5-(mercaptomethyl)-2-methyl-4-pyridinyl]methyl ester IUPAC Name: [3-benzoyloxy-2-methyl-5-(sulfanylmethyl)pyridin-4-yl]methyl benzoate Traditional Name: benzoic acid [3-benzoyloxy-5-(mercaptomethyl)-2-methyl-4-pyridyl]methyl ester Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1OC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)CS

Isomeric SMILES

CC1=NC=C(C(=C1OC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)CS

InChI

InChI=1S/C22H19NO4S/c1-15-20(27-22(25)17-10-6-3-7-11-17)19(18(14-28)12-23-15)13-26-21(24)16-8-4-2-5-9-16/h2-12,28H,13-14H2,1H3