[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)C2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C21H23NO3S/c1-26-20-18(8-5-13-22-20)21(24)25-14-19(23)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h5,8-13,15H,2-4,6-7,14H2,1H3