ethyl 5-methylsulfanyl-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]furan-2-carboxylate

Systemtic Name: ethyl 5-methylsulfanyl-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]furan-2-carboxylate Openeye Name: ethyl 5-methylsulfanyl-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]furan-2-carboxylate CAS Name: 5-(methylthio)-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-methylsulfanyl-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]furan-2-carboxylate Traditional Name: 5-(methylthio)-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]furan-2-carboxylic acid ethyl ester Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(O1)SC)C=CC=CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C=C(O1)SC)/C=C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H18O3S/c1-3-20-18(19)17-15(13-16(21-17)22-2)12-8-7-11-14-9-5-4-6-10-14/h4-13H,3H2,1-2H3/b11-7+,12-8+