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

Systemtic Name: butyl 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylethanoate Openeye Name: butyl 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylacetate CAS Name: 2-[(4-cyano-3-ethyl-1-pyrido[1,2-a]benzimidazolyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetate Traditional Name: 2-[(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)thio]acetic acid butyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)CC

Isomeric SMILES

CCCCOC(=O)CSC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)CC

InChI

InChI=1S/C20H21N3O2S/c1-3-5-10-25-19(24)13-26-18-11-14(4-2)15(12-21)20-22-16-8-6-7-9-17(16)23(18)20/h6-9,11H,3-5,10,13H2,1-2H3