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

Systemtic Name: tert-butyl 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylethanoate Openeye Name: tert-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 tert-butyl ester IUPAC Name: tert-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 tert-butyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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