5-(2-morpholin-4-yl-2-sulfanylidene-ethyl)-2-oxidanyl-benzoic acid

Systemtic Name: 5-(2-morpholin-4-yl-2-sulfanylidene-ethyl)-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-(2-morpholino-2-thioxo-ethyl)benzoic acid CAS Name: 2-hydroxy-5-[2-(4-morpholinyl)-2-sulfanylideneethyl]benzoic acid IUPAC Name: 2-hydroxy-5-(2-morpholin-4-yl-2-sulfanylideneethyl)benzoic acid Traditional Name: 2-hydroxy-5-(2-morpholino-2-thioxo-ethyl)benzoic acid Formula: C13H15NO4S MolecularWeight: 281.3275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)CC2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

C1COCCN1C(=S)CC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C13H15NO4S/c15-11-2-1-9(7-10(11)13(16)17)8-12(19)14-3-5-18-6-4-14/h1-2,7,15H,3-6,8H2,(H,16,17)