3-[4-(3,5-dimethylphenyl)sulfanyl-5-nitro-6-oxidanylidene-1H-pyridin-2-yl]propyl ethanoate

Systemtic Name: 3-[4-(3,5-dimethylphenyl)sulfanyl-5-nitro-6-oxidanylidene-1H-pyridin-2-yl]propyl ethanoate Openeye Name: 3-[4-(3,5-dimethylphenyl)sulfanyl-5-nitro-6-oxo-1H-pyridin-2-yl]propyl acetate CAS Name: acetic acid 3-[4-[(3,5-dimethylphenyl)thio]-5-nitro-6-oxo-1H-pyridin-2-yl]propyl ester IUPAC Name: 3-[4-(3,5-dimethylphenyl)sulfanyl-5-nitro-6-oxo-1H-pyridin-2-yl]propyl acetate Traditional Name: acetic acid 3-[4-[(3,5-dimethylphenyl)thio]-6-keto-5-nitro-1H-pyridin-2-yl]propyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=C2)CCCOC(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=C2)CCCOC(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N2O5S/c1-11-7-12(2)9-15(8-11)26-16-10-14(5-4-6-25-13(3)21)19-18(22)17(16)20(23)24/h7-10H,4-6H2,1-3H3,(H,19,22)