methyl (2E)-2-[(5-methylsulfanyl-2-nitro-phenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: methyl (2E)-2-[(5-methylsulfanyl-2-nitro-phenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: methyl (2E)-2-[(5-methylsulfanyl-2-nitro-phenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[[5-(methylthio)-2-nitrophenyl]methylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(5-methylsulfanyl-2-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-[5-(methylthio)-2-nitro-phenyl]acrylic acid methyl ester Formula: C13H13NO5S MolecularWeight: 295.31102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C(=C\C1=C(C=CC(=C1)SC)[N+](=O)[O-])/C(=O)OC

InChI

InChI=1S/C13H13NO5S/c1-8(15)11(13(16)19-2)7-9-6-10(20-3)4-5-12(9)14(17)18/h4-7H,1-3H3/b11-7+