ethyl 4-[8-(3-methylsulfanylphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[8-(3-methylsulfanylphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-[8-(3-methylsulfanylphenyl)-1,7-naphthyridin-6-yl]cyclohexanecarboxylate CAS Name: 4-[8-[3-(methylthio)phenyl]-1,7-naphthyridin-6-yl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[8-(3-methylsulfanylphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate Traditional Name: 4-[8-[3-(methylthio)phenyl]-1,7-naphthyridin-6-yl]cyclohexanecarboxylic acid ethyl ester Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)C2=NC(=C3C(=C2)C=CC=N3)C4=CC(=CC=C4)SC

Isomeric SMILES

CCOC(=O)C1CCC(CC1)C2=NC(=C3C(=C2)C=CC=N3)C4=CC(=CC=C4)SC

InChI

InChI=1S/C24H26N2O2S/c1-3-28-24(27)17-11-9-16(10-12-17)21-15-19-7-5-13-25-22(19)23(26-21)18-6-4-8-20(14-18)29-2/h4-8,13-17H,3,9-12H2,1-2H3