6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-pyridine-3-carboxylate

Systemtic Name: 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-pyridine-3-carboxylate Openeye Name: 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-pyridine-3-carboxylate CAS Name: 6-ethyl-5-[(ethylthio)-oxomethyl]-2-phenyl-4-propyl-3-pyridinecarboxylate IUPAC Name: 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propylpyridine-3-carboxylate Traditional Name: 6-ethyl-5-(ethylthio)carbonyl-2-phenyl-4-propyl-nicotinate Formula: C20H22NO3S- MolecularWeight: 356.45858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=C1C(=O)SCC)CC)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CCCC1=C(C(=NC(=C1C(=O)SCC)CC)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C20H23NO3S/c1-4-10-14-16(20(24)25-6-3)15(5-2)21-18(17(14)19(22)23)13-11-8-7-9-12-13/h7-9,11-12H,4-6,10H2,1-3H3,(H,22,23)/p-1