propyl 5-ethylsulfanylcarbonyl-2-phenyl-6-(2-phenylmethoxyethyl)-4-propyl-pyridine-3-carboxylate

Systemtic Name: propyl 5-ethylsulfanylcarbonyl-2-phenyl-6-(2-phenylmethoxyethyl)-4-propyl-pyridine-3-carboxylate Openeye Name: propyl 6-(2-benzyloxyethyl)-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-pyridine-3-carboxylate CAS Name: 5-[(ethylthio)-oxomethyl]-2-phenyl-6-(2-phenylmethoxyethyl)-4-propyl-3-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 5-ethylsulfanylcarbonyl-2-phenyl-6-(2-phenylmethoxyethyl)-4-propylpyridine-3-carboxylate Traditional Name: 6-(2-benzoxyethyl)-5-(ethylthio)carbonyl-2-phenyl-4-propyl-nicotinic acid propyl ester Formula: C30H35NO4S MolecularWeight: 505.6682

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=C1C(=O)SCC)CCOCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCCC

Isomeric SMILES

CCCC1=C(C(=NC(=C1C(=O)SCC)CCOCC2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCCC

InChI

InChI=1S/C30H35NO4S/c1-4-13-24-26(30(33)36-6-3)25(18-20-34-21-22-14-9-7-10-15-22)31-28(23-16-11-8-12-17-23)27(24)29(32)35-19-5-2/h7-12,14-17H,4-6,13,18-21H2,1-3H3