1-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylsulfanyl-5-nitro-3,4-dihydropyridin-2-one

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylsulfanyl-5-nitro-3,4-dihydropyridin-2-one Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylsulfanyl-5-nitro-3,4-dihydropyridin-2-one CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-(methylthio)-5-nitro-3,4-dihydropyridin-2-one IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylsulfanyl-5-nitro-3,4-dihydropyridin-2-one Traditional Name: 1-homoveratryl-6-(methylthio)-5-nitro-3,4-dihydropyridin-2-one Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)CCC(=C2SC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)CCC(=C2SC)[N+](=O)[O-])OC

InChI

InChI=1S/C16H20N2O5S/c1-22-13-6-4-11(10-14(13)23-2)8-9-17-15(19)7-5-12(18(20)21)16(17)24-3/h4,6,10H,5,7-9H2,1-3H3