2-(3,4-dimethylphenyl)sulfanylethyl 5-nitrofuran-2-carboxylate

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanylethyl 5-nitrofuran-2-carboxylate Openeye Name: 2-(3,4-dimethylphenyl)sulfanylethyl 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid 2-[(3,4-dimethylphenyl)thio]ethyl ester IUPAC Name: 2-(3,4-dimethylphenyl)sulfanylethyl 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid 2-[(3,4-dimethylphenyl)thio]ethyl ester Formula: C15H15NO5S MolecularWeight: 321.3483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCOC(=O)C2=CC=C(O2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCOC(=O)C2=CC=C(O2)[N+](=O)[O-])C

InChI

InChI=1S/C15H15NO5S/c1-10-3-4-12(9-11(10)2)22-8-7-20-15(17)13-5-6-14(21-13)16(18)19/h3-6,9H,7-8H2,1-2H3