(4Z)-2-(methoxymethyl)-2-methyl-4-[methylamino(sulfanyl)methylidene]-6-nitro-chromen-3-one

Systemtic Name: (4Z)-2-(methoxymethyl)-2-methyl-4-[methylamino(sulfanyl)methylidene]-6-nitro-chromen-3-one Openeye Name: (4Z)-2-(methoxymethyl)-2-methyl-4-[methylamino(sulfanyl)methylene]-6-nitro-chroman-3-one CAS Name: (4Z)-4-[mercapto(methylamino)methylidene]-2-(methoxymethyl)-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-3-one IUPAC Name: (4Z)-2-(methoxymethyl)-2-methyl-4-[methylamino(sulfanyl)methylidene]-6-nitrochromen-3-one Traditional Name: (4Z)-4-[mercapto(methylamino)methylene]-2-(methoxymethyl)-2-methyl-6-nitro-chroman-3-one Formula: C14H16N2O5S MolecularWeight: 324.35224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C(=C(NC)S)C2=C(O1)C=CC(=C2)[N+](=O)[O-])COC

Isomeric SMILES

CC1(C(=O)/C(=C(/NC)\S)/C2=C(O1)C=CC(=C2)[N+](=O)[O-])COC

InChI

InChI=1S/C14H16N2O5S/c1-14(7-20-3)12(17)11(13(22)15-2)9-6-8(16(18)19)4-5-10(9)21-14/h4-6,15,22H,7H2,1-3H3/b13-11-