4-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-(2-ethoxy-2-oxo-ethyl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[(2-ethoxy-2-oxoethyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(2-ethoxy-2-oxoethyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(2-ethoxy-2-keto-ethyl)thio]acetyl]amino]benzoic acid Formula: C13H15NO5S MolecularWeight: 297.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H15NO5S/c1-2-19-12(16)8-20-7-11(15)14-10-5-3-9(4-6-10)13(17)18/h3-6H,2,7-8H2,1H3,(H,14,15)(H,17,18)