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

Systemtic Name: propan-2-yl 2-(4-cyano-3-ethyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S/c1-4-13-9-17(25-11-18(23)24-12(2)3)22-16-8-6-5-7-15(16)21-19(22)14(13)10-20/h5-9,12H,4,11H2,1-3H3