[(4-oxidanylthian-4-yl)-phenyl-methyl] 3-(diethylamino)propanoate

Systemtic Name: [(4-oxidanylthian-4-yl)-phenyl-methyl] 3-(diethylamino)propanoate Openeye Name: [(4-hydroxytetrahydrothiopyran-4-yl)-phenyl-methyl] 3-(diethylamino)propanoate CAS Name: 3-(diethylamino)propanoic acid [(4-hydroxy-4-thianyl)-phenylmethyl] ester IUPAC Name: [(4-hydroxythian-4-yl)-phenylmethyl] 3-(diethylamino)propanoate Traditional Name: 3-(diethylamino)propionic acid [(4-hydroxytetrahydrothiopyran-4-yl)-phenyl-methyl] ester Formula: C19H29NO3S MolecularWeight: 351.50346

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(=O)OC(C1=CC=CC=C1)C2(CCSCC2)O

Isomeric SMILES

CCN(CC)CCC(=O)OC(C1=CC=CC=C1)C2(CCSCC2)O

InChI

InChI=1S/C19H29NO3S/c1-3-20(4-2)13-10-17(21)23-18(16-8-6-5-7-9-16)19(22)11-14-24-15-12-19/h5-9,18,22H,3-4,10-15H2,1-2H3