4-azanyl-2-[2-(2-methylphenyl)sulfanylethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-(2-methylphenyl)sulfanylethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-(o-tolylsulfanyl)acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[[2-(o-tolylthio)acetyl]amino]butyric acid Formula: C13H16N2O4S MolecularWeight: 296.34214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-8-4-2-3-5-10(8)20-7-12(17)15-9(13(18)19)6-11(14)16/h2-5,9H,6-7H2,1H3,(H2,14,16)(H,15,17)(H,18,19)