[2-[(5-ethynyl-2-methyl-3-oxidanyl-pyridin-4-yl)methylsulfanylcarbonyl]phenyl] ethanoate

Systemtic Name: [2-[(5-ethynyl-2-methyl-3-oxidanyl-pyridin-4-yl)methylsulfanylcarbonyl]phenyl] ethanoate Openeye Name: [2-[(5-ethynyl-3-hydroxy-2-methyl-4-pyridyl)methylsulfanylcarbonyl]phenyl] acetate CAS Name: acetic acid [2-[[(5-ethynyl-3-hydroxy-2-methyl-4-pyridinyl)methylthio]-oxomethyl]phenyl] ester IUPAC Name: [2-[(5-ethynyl-3-hydroxy-2-methylpyridin-4-yl)methylsulfanylcarbonyl]phenyl] acetate Traditional Name: acetic acid [2-[(5-ethynyl-3-hydroxy-2-methyl-4-pyridyl)methylthio]carbonylphenyl] ester Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CSC(=O)C2=CC=CC=C2OC(=O)C)C#C

Isomeric SMILES

CC1=NC=C(C(=C1O)CSC(=O)C2=CC=CC=C2OC(=O)C)C#C

InChI

InChI=1S/C18H15NO4S/c1-4-13-9-19-11(2)17(21)15(13)10-24-18(22)14-7-5-6-8-16(14)23-12(3)20/h1,5-9,21H,10H2,2-3H3