2-(2-diethylaminoethylsulfanyl)benzoic acid

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)benzoic acid Openeye Name: 2-(2-diethylaminoethylsulfanyl)benzoic acid CAS Name: 2-(2-diethylaminoethylthio)benzoic acid IUPAC Name: 2-(2-diethylaminoethylsulfanyl)benzoic acid Traditional Name: 2-(2-diethylaminoethylthio)benzoic acid Formula: C13H19NO2S MolecularWeight: 253.36046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCN(CC)CCSC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H19NO2S/c1-3-14(4-2)9-10-17-12-8-6-5-7-11(12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)