[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NCC2=CC=CO2

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NCC2=CC=CO2

InChI

InChI=1S/C18H21NO4S/c1-13-5-7-16(8-6-13)24-11-9-17(20)23-14(2)18(21)19-12-15-4-3-10-22-15/h3-8,10,14H,9,11-12H2,1-2H3,(H,19,21)