2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]benzoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]benzoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)-(2-tert-butoxy-2-oxo-ethyl)amino]benzoic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]benzoic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]benzoic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]-(2-tert-butoxy-2-keto-ethyl)amino]benzoic acid Formula: C19H25NO6S MolecularWeight: 395.4699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N(CC(=O)OC(C)(C)C)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N(CC(=O)OC(C)(C)C)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C19H25NO6S/c1-12(11-27-13(2)21)17(23)20(10-16(22)26-19(3,4)5)15-9-7-6-8-14(15)18(24)25/h6-9,12H,10-11H2,1-5H3,(H,24,25)