4-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-oxo-2-(2-oxolanylmethylamino)ethyl]thio]benzoic acid IUPAC Name: 4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-(tetrahydrofurfurylamino)ethyl]thio]benzoic acid Formula: C14H17NO4S MolecularWeight: 295.35408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CC(OC1)CNC(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H17NO4S/c16-13(15-8-11-2-1-7-19-11)9-20-12-5-3-10(4-6-12)14(17)18/h3-6,11H,1-2,7-9H2,(H,15,16)(H,17,18)