2-[2-[(4-methylsulfinyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 2-[2-[(4-methylsulfinyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 2-[2-[(1-carboxy-3-methylsulfinyl-propyl)amino]-2-oxo-ethoxy]benzoic acid CAS Name: 2-[2-[(1-hydroxy-4-methylsulfinyl-1-oxobutan-2-yl)amino]-2-oxoethoxy]benzoic acid IUPAC Name: 2-[2-[(1-hydroxy-4-methylsulfinyl-1-oxobutan-2-yl)amino]-2-oxoethoxy]benzoic acid Traditional Name: 2-[2-[(1-carboxy-3-methylsulfinyl-propyl)amino]-2-keto-ethoxy]benzoic acid Formula: C14H17NO7S MolecularWeight: 343.35228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCC(C(=O)O)NC(=O)COC1=CC=CC=C1C(=O)O

Isomeric SMILES

CS(=O)CCC(C(=O)O)NC(=O)COC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C14H17NO7S/c1-23(21)7-6-10(14(19)20)15-12(16)8-22-11-5-3-2-4-9(11)13(17)18/h2-5,10H,6-8H2,1H3,(H,15,16)(H,17,18)(H,19,20)