[(3-oxidanylthiolan-3-yl)-phenyl-methyl] 3-(diethylamino)propanoate

Systemtic Name: [(3-oxidanylthiolan-3-yl)-phenyl-methyl] 3-(diethylamino)propanoate Openeye Name: [(3-hydroxytetrahydrothiophen-3-yl)-phenyl-methyl] 3-(diethylamino)propanoate CAS Name: 3-(diethylamino)propanoic acid [(3-hydroxy-3-thiolanyl)-phenylmethyl] ester IUPAC Name: [(3-hydroxythiolan-3-yl)-phenylmethyl] 3-(diethylamino)propanoate Traditional Name: 3-(diethylamino)propionic acid [(3-hydroxytetrahydrothiophen-3-yl)-phenyl-methyl] ester Formula: C18H27NO3S MolecularWeight: 337.47688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(=O)OC(C1=CC=CC=C1)C2(CCSC2)O

Isomeric SMILES

CCN(CC)CCC(=O)OC(C1=CC=CC=C1)C2(CCSC2)O

InChI

InChI=1S/C18H27NO3S/c1-3-19(4-2)12-10-16(20)22-17(15-8-6-5-7-9-15)18(21)11-13-23-14-18/h5-9,17,21H,3-4,10-14H2,1-2H3