methyl 2-methyl-5-[(E)-3-[2-(4-methylphenyl)sulfanylethylamino]-3-oxidanylidene-prop-1-enyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(E)-3-[2-(4-methylphenyl)sulfanylethylamino]-3-oxidanylidene-prop-1-enyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[(E)-3-oxo-3-[2-(p-tolylsulfanyl)ethylamino]prop-1-enyl]furan-3-carboxylate CAS Name: 2-methyl-5-[(E)-3-[2-[(4-methylphenyl)thio]ethylamino]-3-oxoprop-1-enyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(E)-3-[2-(4-methylphenyl)sulfanylethylamino]-3-oxoprop-1-enyl]furan-3-carboxylate Traditional Name: 5-[(E)-3-keto-3-[2-(p-tolylthio)ethylamino]prop-1-enyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C=CC2=CC(=C(O2)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)/C=C/C2=CC(=C(O2)C)C(=O)OC

InChI

InChI=1S/C19H21NO4S/c1-13-4-7-16(8-5-13)25-11-10-20-18(21)9-6-15-12-17(14(2)24-15)19(22)23-3/h4-9,12H,10-11H2,1-3H3,(H,20,21)/b9-6+