2-hydroxyethyl 4,6-diethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate

Systemtic Name: 2-hydroxyethyl 4,6-diethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate Openeye Name: 2-hydroxyethyl 4,6-diethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate CAS Name: 4,6-diethyl-5-[(ethylthio)-oxomethyl]-2-phenyl-3-pyridinecarboxylic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 4,6-diethyl-5-ethylsulfanylcarbonyl-2-phenylpyridine-3-carboxylate Traditional Name: 4,6-diethyl-5-(ethylthio)carbonyl-2-phenyl-nicotinic acid 2-hydroxyethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=C1C(=O)SCC)CC)C2=CC=CC=C2)C(=O)OCCO

Isomeric SMILES

CCC1=C(C(=NC(=C1C(=O)SCC)CC)C2=CC=CC=C2)C(=O)OCCO

InChI

InChI=1S/C21H25NO4S/c1-4-15-17(21(25)27-6-3)16(5-2)22-19(14-10-8-7-9-11-14)18(15)20(24)26-13-12-23/h7-11,23H,4-6,12-13H2,1-3H3