ethyl 5-(1H-benzimidazol-2-yl)-2-sulfanyl-pentanoate

Systemtic Name: ethyl 5-(1H-benzimidazol-2-yl)-2-sulfanyl-pentanoate Openeye Name: ethyl 5-(1H-benzimidazol-2-yl)-2-sulfanyl-pentanoate CAS Name: 5-(1H-benzimidazol-2-yl)-2-mercaptopentanoic acid ethyl ester IUPAC Name: ethyl 5-(1H-benzimidazol-2-yl)-2-sulfanylpentanoate Traditional Name: 5-(1H-benzimidazol-2-yl)-2-mercapto-valeric acid ethyl ester Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC1=NC2=CC=CC=C2N1)S

Isomeric SMILES

CCOC(=O)C(CCCC1=NC2=CC=CC=C2N1)S

InChI

InChI=1S/C14H18N2O2S/c1-2-18-14(17)12(19)8-5-9-13-15-10-6-3-4-7-11(10)16-13/h3-4,6-7,12,19H,2,5,8-9H2,1H3,(H,15,16)