2-[(2-azanyl-4-methyl-phenyl)sulfanylmethyl]-5-oxidanyl-pyran-4-one

Systemtic Name: 2-[(2-azanyl-4-methyl-phenyl)sulfanylmethyl]-5-oxidanyl-pyran-4-one Openeye Name: 2-[(2-amino-4-methyl-phenyl)sulfanylmethyl]-5-hydroxy-pyran-4-one CAS Name: 2-[[(2-amino-4-methylphenyl)thio]methyl]-5-hydroxy-4-pyranone IUPAC Name: 2-[(2-amino-4-methylphenyl)sulfanylmethyl]-5-hydroxypyran-4-one Traditional Name: 2-[[(2-amino-4-methyl-phenyl)thio]methyl]-5-hydroxy-pyran-4-one Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC(=O)C(=CO2)O)N

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC(=O)C(=CO2)O)N

InChI

InChI=1S/C13H13NO3S/c1-8-2-3-13(10(14)4-8)18-7-9-5-11(15)12(16)6-17-9/h2-6,16H,7,14H2,1H3