methyl 1-[2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)N4CCC(CC4)C(=O)OC)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)N4CCC(CC4)C(=O)OC)C#N

InChI

InChI=1S/C22H22N4O3S/c1-14-11-20(26-18-6-4-3-5-17(18)24-21(26)16(14)12-23)30-13-19(27)25-9-7-15(8-10-25)22(28)29-2/h3-6,11,15H,7-10,13H2,1-2H3