2-[3-(2,4-dimethylphenyl)-5-ethenylsulfanyl-4-oxidanylidene-pyridin-1-yl]propanoic acid

Systemtic Name: 2-[3-(2,4-dimethylphenyl)-5-ethenylsulfanyl-4-oxidanylidene-pyridin-1-yl]propanoic acid Openeye Name: 2-[3-(2,4-dimethylphenyl)-4-oxo-5-vinylsulfanyl-1-pyridyl]propanoic acid CAS Name: 2-[3-(2,4-dimethylphenyl)-5-(ethenylthio)-4-oxo-1-pyridinyl]propanoic acid IUPAC Name: 2-[3-(2,4-dimethylphenyl)-5-ethenylsulfanyl-4-oxopyridin-1-yl]propanoic acid Traditional Name: 2-[3-(2,4-dimethylphenyl)-4-keto-5-(vinylthio)-1-pyridyl]propionic acid Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CN(C=C(C2=O)SC=C)C(C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CN(C=C(C2=O)SC=C)C(C)C(=O)O)C

InChI

InChI=1S/C18H19NO3S/c1-5-23-16-10-19(13(4)18(21)22)9-15(17(16)20)14-7-6-11(2)8-12(14)3/h5-10,13H,1H2,2-4H3,(H,21,22)