2-diethylaminoethyl 3-propylsulfanylbenzoate

Systemtic Name: 2-diethylaminoethyl 3-propylsulfanylbenzoate Openeye Name: 2-diethylaminoethyl 3-propylsulfanylbenzoate CAS Name: 3-(propylthio)benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 3-propylsulfanylbenzoate Traditional Name: 3-(propylthio)benzoic acid 2-diethylaminoethyl ester Formula: C16H25NO2S MolecularWeight: 295.4402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC(=C1)C(=O)OCCN(CC)CC

Isomeric SMILES

CCCSC1=CC=CC(=C1)C(=O)OCCN(CC)CC

InChI

InChI=1S/C16H25NO2S/c1-4-12-20-15-9-7-8-14(13-15)16(18)19-11-10-17(5-2)6-3/h7-9,13H,4-6,10-12H2,1-3H3