2-[4-(dimethylamino)-2-methylsulfanyl-phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[4-(dimethylamino)-2-methylsulfanyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 2-[4-(dimethylamino)-2-methylsulfanyl-phenyl]-4-oxo-butanoic acid CAS Name: 2-[4-(dimethylamino)-2-(methylthio)phenyl]-4-oxobutanoic acid IUPAC Name: 2-[4-(dimethylamino)-2-methylsulfanylphenyl]-4-oxobutanoic acid Traditional Name: 2-[4-(dimethylamino)-2-(methylthio)phenyl]-4-keto-butyric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)C(CC=O)C(=O)O)SC

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)C(CC=O)C(=O)O)SC

InChI

InChI=1S/C13H17NO3S/c1-14(2)9-4-5-10(12(8-9)18-3)11(6-7-15)13(16)17/h4-5,7-8,11H,6H2,1-3H3,(H,16,17)