ethyl 4-[1-[(8-methylnaphthalen-1-yl)methyl]benzimidazol-2-yl]sulfanylbutanoate

Systemtic Name: ethyl 4-[1-[(8-methylnaphthalen-1-yl)methyl]benzimidazol-2-yl]sulfanylbutanoate Openeye Name: ethyl 4-[1-[(8-methyl-1-naphthyl)methyl]benzimidazol-2-yl]sulfanylbutanoate CAS Name: 4-[[1-[(8-methyl-1-naphthalenyl)methyl]-2-benzimidazolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1-[(8-methylnaphthalen-1-yl)methyl]benzimidazol-2-yl]sulfanylbutanoate Traditional Name: 4-[[1-[(8-methyl-1-naphthyl)methyl]benzimidazol-2-yl]thio]butyric acid ethyl ester Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC2=CC=CC=C2N1CC3=CC=CC4=C3C(=CC=C4)C

Isomeric SMILES

CCOC(=O)CCCSC1=NC2=CC=CC=C2N1CC3=CC=CC4=C3C(=CC=C4)C

InChI

InChI=1S/C25H26N2O2S/c1-3-29-23(28)15-8-16-30-25-26-21-13-4-5-14-22(21)27(25)17-20-12-7-11-19-10-6-9-18(2)24(19)20/h4-7,9-14H,3,8,15-17H2,1-2H3