[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-pyridin-2-ylsulfanylethanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-pyridin-2-ylsulfanylethanoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 2-(2-pyridylsulfanyl)acetate CAS Name: 2-(2-pyridinylthio)acetic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 2-pyridin-2-ylsulfanylacetate Traditional Name: 2-(2-pyridylthio)acetic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)CSC2=CC=CC=N2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)CSC2=CC=CC=N2)C

InChI

InChI=1S/C17H17NO3S/c1-12-6-7-14(13(2)9-12)15(19)10-21-17(20)11-22-16-5-3-4-8-18-16/h3-9H,10-11H2,1-2H3