5-ethanoyl-6-methylsulfanyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one

Systemtic Name: 5-ethanoyl-6-methylsulfanyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one Openeye Name: 5-acetyl-6-methylsulfanyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one CAS Name: 5-acetyl-6-(methylthio)-2-(4-nitrophenyl)-2,3-dihydropyran-4-one IUPAC Name: 5-acetyl-6-methylsulfanyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one Traditional Name: 5-acetyl-6-(methylthio)-2-(4-nitrophenyl)-2,3-dihydropyran-4-one Formula: C14H13NO5S MolecularWeight: 307.32172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(OC(CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])SC

Isomeric SMILES

CC(=O)C1=C(OC(CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])SC

InChI

InChI=1S/C14H13NO5S/c1-8(16)13-11(17)7-12(20-14(13)21-2)9-3-5-10(6-4-9)15(18)19/h3-6,12H,7H2,1-2H3