[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-methylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-methylphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] 2-(p-tolylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)thio]acetic acid [2-oxo-2-[[(2R)-2-oxolanyl]methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-methylphenyl)sulfanylacetate Traditional Name: 2-(p-tolylthio)acetic acid [2-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)OCC(=O)NC[C@H]2CCCO2

InChI

InChI=1S/C16H21NO4S/c1-12-4-6-14(7-5-12)22-11-16(19)21-10-15(18)17-9-13-3-2-8-20-13/h4-7,13H,2-3,8-11H2,1H3,(H,17,18)/t13-/m1/s1