methyl 5-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC=C(O4)C(=O)OC)C#N

Isomeric SMILES

CCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC4=CC=C(O4)C(=O)OC)C#N

InChI

InChI=1S/C21H17N3O3S/c1-3-13-10-19(28-12-14-8-9-18(27-14)21(25)26-2)24-17-7-5-4-6-16(17)23-20(24)15(13)11-22/h4-10H,3,12H2,1-2H3