[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-(4-methylphenyl)sulfanylethanoate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-(4-methylphenyl)sulfanylethanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 2-(p-tolylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)thio]acetic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 2-(4-methylphenyl)sulfanylacetate Traditional Name: 2-(p-tolylthio)acetic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C26H24N2O5S MolecularWeight: 476.54416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OC(=O)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CO2)OC(=O)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C26H24N2O5S/c1-3-31-24-14-19(13-20(15-27)26(30)28-16-21-5-4-12-32-21)8-11-23(24)33-25(29)17-34-22-9-6-18(2)7-10-22/h4-14H,3,16-17H2,1-2H3,(H,28,30)/b20-13+