4-(2-aminophenyl)-2-methylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-aminophenyl)-2-methylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-aminophenyl)-2-methylsulfanyl-4-oxo-butanoic acid CAS Name: 4-(2-aminophenyl)-2-(methylthio)-4-oxobutanoic acid IUPAC Name: 4-(2-aminophenyl)-2-methylsulfanyl-4-oxobutanoic acid Traditional Name: 4-(2-aminophenyl)-4-keto-2-(methylthio)butyric acid Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CSC(CC(=O)C1=CC=CC=C1N)C(=O)O

Isomeric SMILES

CSC(CC(=O)C1=CC=CC=C1N)C(=O)O

InChI

InChI=1S/C11H13NO3S/c1-16-10(11(14)15)6-9(13)7-4-2-3-5-8(7)12/h2-5,10H,6,12H2,1H3,(H,14,15)