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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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