methyl 3-(2-dimethylaminoethylsulfanylmethyl)-4-oxidanylidene-4-pyridin-3-yl-butanoate

Systemtic Name: methyl 3-(2-dimethylaminoethylsulfanylmethyl)-4-oxidanylidene-4-pyridin-3-yl-butanoate Openeye Name: methyl 3-(2-dimethylaminoethylsulfanylmethyl)-4-oxo-4-(3-pyridyl)butanoate CAS Name: 3-[(2-dimethylaminoethylthio)methyl]-4-oxo-4-(3-pyridinyl)butanoic acid methyl ester IUPAC Name: methyl 3-(2-dimethylaminoethylsulfanylmethyl)-4-oxo-4-pyridin-3-ylbutanoate Traditional Name: 3-[(2-dimethylaminoethylthio)methyl]-4-keto-4-(3-pyridyl)butyric acid methyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S/c1-17(2)7-8-21-11-13(9-14(18)20-3)15(19)12-5-4-6-16-10-12/h4-6,10,13H,7-9,11H2,1-3H3