ethyl 3-ethoxy-2-ethylsulfanylcarbonyl-4-phenyl-4-pyridin-2-yl-butanoate

Systemtic Name: ethyl 3-ethoxy-2-ethylsulfanylcarbonyl-4-phenyl-4-pyridin-2-yl-butanoate Openeye Name: ethyl 3-ethoxy-2-ethylsulfanylcarbonyl-4-phenyl-4-(2-pyridyl)butanoate CAS Name: 3-ethoxy-2-[(ethylthio)-oxomethyl]-4-phenyl-4-(2-pyridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-ethoxy-2-ethylsulfanylcarbonyl-4-phenyl-4-pyridin-2-ylbutanoate Traditional Name: 3-ethoxy-2-(ethylthio)carbonyl-4-phenyl-4-(2-pyridyl)butyric acid ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(C1=CC=CC=C1)C2=CC=CC=N2)C(C(=O)OCC)C(=O)SCC

Isomeric SMILES

CCOC(C(C1=CC=CC=C1)C2=CC=CC=N2)C(C(=O)OCC)C(=O)SCC

InChI

InChI=1S/C22H27NO4S/c1-4-26-20(19(21(24)27-5-2)22(25)28-6-3)18(16-12-8-7-9-13-16)17-14-10-11-15-23-17/h7-15,18-20H,4-6H2,1-3H3