[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NCC2CCCO2

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NCC2CCCO2

InChI

InChI=1S/C17H23NO4S/c1-13-4-6-15(7-5-13)23-10-8-17(20)22-12-16(19)18-11-14-3-2-9-21-14/h4-7,14H,2-3,8-12H2,1H3,(H,18,19)