[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate CAS Name: 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Traditional Name: 2,3-dihydro-p-dioxin-5-carboxylic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C16H19NO5S MolecularWeight: 337.39076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=COCCO2

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=COCCO2

InChI

InChI=1S/C16H19NO5S/c1-12-2-4-13(5-3-12)23-9-6-17-15(18)11-22-16(19)14-10-20-7-8-21-14/h2-5,10H,6-9,11H2,1H3,(H,17,18)