[4-methanoyl-2-methyl-5-(phenylcarbonylsulfanylmethyl)pyridin-3-yl] ethanoate

Systemtic Name: [4-methanoyl-2-methyl-5-(phenylcarbonylsulfanylmethyl)pyridin-3-yl] ethanoate Openeye Name: [5-(benzoylsulfanylmethyl)-4-formyl-2-methyl-3-pyridyl] acetate CAS Name: acetic acid [5-[(benzoylthio)methyl]-4-formyl-2-methyl-3-pyridinyl] ester IUPAC Name: [5-(benzoylsulfanylmethyl)-4-formyl-2-methylpyridin-3-yl] acetate Traditional Name: acetic acid [5-[(benzoylthio)methyl]-4-formyl-2-methyl-3-pyridyl] ester Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1OC(=O)C)C=O)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NC=C(C(=C1OC(=O)C)C=O)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H15NO4S/c1-11-16(22-12(2)20)15(9-19)14(8-18-11)10-23-17(21)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3