2-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[2-(ethylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[1-(ethylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[2-(ethylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C12H15NO3S MolecularWeight: 253.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCNC(=O)C(C)SC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C12H15NO3S/c1-3-13-11(14)8(2)17-10-7-5-4-6-9(10)12(15)16/h4-8H,3H2,1-2H3,(H,13,14)(H,15,16)