4-azanyl-2-[(4-methylsulfanylphenyl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(4-methylsulfanylphenyl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(4-methylsulfanylbenzoyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[4-(methylthio)phenyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(4-methylsulfanylbenzoyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[[4-(methylthio)benzoyl]amino]butyric acid Formula: C12H14N2O4S MolecularWeight: 282.31556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C12H14N2O4S/c1-19-8-4-2-7(3-5-8)11(16)14-9(12(17)18)6-10(13)15/h2-5,9H,6H2,1H3,(H2,13,15)(H,14,16)(H,17,18)