ethyl 2-[(4-chlorophenyl)methylsulfanyl]-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-4-carboxylate

Systemtic Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-4-carboxylate Openeye Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-4-carboxylate CAS Name: 2-[(4-chlorophenyl)methylthio]-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chlorophenyl)methylsulfanyl]-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-4-carboxylate Traditional Name: 2-[(4-chlorobenzyl)thio]-3-cyano-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-4-carboxylic acid ethyl ester Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)Cl)C#N)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)Cl)C#N)C(=O)OCC

InChI

InChI=1S/C21H22ClN3O2S/c1-3-25-10-9-18-17(12-25)19(21(26)27-4-2)16(11-23)20(24-18)28-13-14-5-7-15(22)8-6-14/h5-8H,3-4,9-10,12-13H2,1-2H3/p+1