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

Systemtic Name: 4-azanyl-2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(2-chloro-5-methylsulfanyl-benzoyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-chloro-5-(methylthio)benzoyl]amino]-4-keto-butyric acid Formula: C12H13ClN2O4S MolecularWeight: 316.76062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O4S/c1-20-6-2-3-8(13)7(4-6)11(17)15-9(12(18)19)5-10(14)16/h2-4,9H,5H2,1H3,(H2,14,16)(H,15,17)(H,18,19)