2-[[4-(4-tert-butylphenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[4-(4-tert-butylphenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-tert-butylphenyl)-4-oxo-butanoyl]-methyl-amino]acetic acid CAS Name: 2-[[3-(acetylthio)-4-(4-tert-butylphenyl)-1,4-dioxobutyl]-methylamino]acetic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-tert-butylphenyl)-4-oxobutanoyl]-methylamino]acetic acid Traditional Name: 2-[[3-(acetylthio)-4-(4-tert-butylphenyl)-4-keto-butanoyl]-methyl-amino]acetic acid Formula: C19H25NO5S MolecularWeight: 379.4705

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N(C)CC(=O)O)C(=O)C1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CC(=O)SC(CC(=O)N(C)CC(=O)O)C(=O)C1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C19H25NO5S/c1-12(21)26-15(10-16(22)20(5)11-17(23)24)18(25)13-6-8-14(9-7-13)19(2,3)4/h6-9,15H,10-11H2,1-5H3,(H,23,24)