S-[(4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl] benzenecarbothioate

Systemtic Name: S-[(4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)methyl] benzenecarbothioate Openeye Name: S-[(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl] ester IUPAC Name: S-[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl] ester Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO3S/c1-10-14(18)13(8-17)12(7-16-10)9-20-15(19)11-5-3-2-4-6-11/h2-8,18H,9H2,1H3