3-(2-dimethylaminoethylsulfanylmethyl)-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-(2-dimethylaminoethylsulfanylmethyl)-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-(2-dimethylaminoethylsulfanylmethyl)-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[(2-dimethylaminoethylthio)methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-(2-dimethylaminoethylsulfanylmethyl)-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[(2-dimethylaminoethylthio)methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-16(2)6-7-20-10-12(8-13(17)18)14(19)11-4-3-5-15-9-11/h3-5,9,12H,6-8,10H2,1-2H3,(H,17,18)