4-[2-oxidanylidene-2-(propylamino)ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-(propylamino)ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-oxo-2-(propylamino)ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-oxo-2-(propylamino)ethyl]thio]benzoic acid IUPAC Name: 4-[2-oxo-2-(propylamino)ethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-(propylamino)ethyl]thio]benzoic acid Formula: C12H15NO3S MolecularWeight: 253.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCNC(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H15NO3S/c1-2-7-13-11(14)8-17-10-5-3-9(4-6-10)12(15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H,15,16)