methyl 2-(4-cyano-3-propyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylethanoate

Systemtic Name: methyl 2-(4-cyano-3-propyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylethanoate Openeye Name: methyl 2-(4-cyano-3-propyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylacetate CAS Name: 2-[(4-cyano-3-propyl-1-pyrido[1,2-a]benzimidazolyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetate Traditional Name: 2-[(4-cyano-3-propyl-pyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid methyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)OC)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC(=O)OC)C#N

InChI

InChI=1S/C18H17N3O2S/c1-3-6-12-9-16(24-11-17(22)23-2)21-15-8-5-4-7-14(15)20-18(21)13(12)10-19/h4-5,7-9H,3,6,11H2,1-2H3