propyl 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanylcarbonyl]-6-ethyl-2-phenyl-4-propyl-pyridine-3-carboxylate

Systemtic Name: propyl 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanylcarbonyl]-6-ethyl-2-phenyl-4-propyl-pyridine-3-carboxylate Openeye Name: propyl 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanylcarbonyl]-6-ethyl-2-phenyl-4-propyl-pyridine-3-carboxylate CAS Name: 5-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methylthio]-oxomethyl]-6-ethyl-2-phenyl-4-propyl-3-pyridinecarboxylic acid propyl ester IUPAC Name: propyl 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanylcarbonyl]-6-ethyl-2-phenyl-4-propylpyridine-3-carboxylate Traditional Name: 5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylthio]carbonyl-6-ethyl-2-phenyl-4-propyl-nicotinic acid propyl ester Formula: C27H35NO5S MolecularWeight: 485.6355

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=C1C(=O)SCC2COC(O2)(C)C)CC)C3=CC=CC=C3)C(=O)OCCC

Isomeric SMILES

CCCC1=C(C(=NC(=C1C(=O)SCC2COC(O2)(C)C)CC)C3=CC=CC=C3)C(=O)OCCC

InChI

InChI=1S/C27H35NO5S/c1-6-12-20-22(26(30)34-17-19-16-32-27(4,5)33-19)21(8-3)28-24(18-13-10-9-11-14-18)23(20)25(29)31-15-7-2/h9-11,13-14,19H,6-8,12,15-17H2,1-5H3