[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(2,5-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)C(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

InChI=1S/C17H17NO3S/c1-11-6-7-12(2)14(9-11)15(19)10-21-17(20)13-5-4-8-18-16(13)22-3/h4-9H,10H2,1-3H3