4-(4-methylphenyl)sulfanylbut-2-ynyl furan-2-carboxylate

Systemtic Name: 4-(4-methylphenyl)sulfanylbut-2-ynyl furan-2-carboxylate Openeye Name: 4-(p-tolylsulfanyl)but-2-ynyl furan-2-carboxylate CAS Name: 2-furancarboxylic acid 4-[(4-methylphenyl)thio]but-2-ynyl ester IUPAC Name: 4-(4-methylphenyl)sulfanylbut-2-ynyl furan-2-carboxylate Traditional Name: furan-2-carboxylic acid 4-(p-tolylthio)but-2-ynyl ester Formula: C16H14O3S MolecularWeight: 286.34556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC#CCOC(=O)C2=CC=CO2

Isomeric SMILES

CC1=CC=C(C=C1)SCC#CCOC(=O)C2=CC=CO2

InChI

InChI=1S/C16H14O3S/c1-13-6-8-14(9-7-13)20-12-3-2-10-19-16(17)15-5-4-11-18-15/h4-9,11H,10,12H2,1H3