[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-(phenoxymethyl)furan-2-carboxylate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-(phenoxymethyl)furan-2-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 3-(phenoxymethyl)furan-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-furancarboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate Traditional Name: 3-(phenoxymethyl)furan-2-carboxylic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(C=CO2)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(C=CO2)COC3=CC=CC=C3

InChI

InChI=1S/C23H23NO5S/c1-17-7-9-20(10-8-17)30-14-12-24-21(25)16-29-23(26)22-18(11-13-27-22)15-28-19-5-3-2-4-6-19/h2-11,13H,12,14-16H2,1H3,(H,24,25)