4-azanyl-2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(2-methyl-5-methylsulfanyl-benzoyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[[2-methyl-5-(methylthio)benzoyl]amino]butyric acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-7-3-4-8(20-2)5-9(7)12(17)15-10(13(18)19)6-11(14)16/h3-5,10H,6H2,1-2H3,(H2,14,16)(H,15,17)(H,18,19)