2-[4-(diethylamino)-4-oxidanylidene-butyl]sulfanylbenzoic acid

Systemtic Name: 2-[4-(diethylamino)-4-oxidanylidene-butyl]sulfanylbenzoic acid Openeye Name: 2-[4-(diethylamino)-4-oxo-butyl]sulfanylbenzoic acid CAS Name: 2-[[4-(diethylamino)-4-oxobutyl]thio]benzoic acid IUPAC Name: 2-[4-(diethylamino)-4-oxobutyl]sulfanylbenzoic acid Traditional Name: 2-[[4-(diethylamino)-4-keto-butyl]thio]benzoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCCSC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCN(CC)C(=O)CCCSC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-3-16(4-2)14(17)10-7-11-20-13-9-6-5-8-12(13)15(18)19/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,18,19)