ethyl 2-[(E)-2-cyano-2-(3-methylimidazo[4,5-b]pyridin-2-yl)-1-phenylazanyl-ethenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[(E)-2-cyano-2-(3-methylimidazo[4,5-b]pyridin-2-yl)-1-phenylazanyl-ethenyl]sulfanylethanoate Openeye Name: ethyl 2-[(E)-1-anilino-2-cyano-2-(3-methylimidazo[4,5-b]pyridin-2-yl)vinyl]sulfanylacetate CAS Name: 2-[[(E)-1-anilino-2-cyano-2-(3-methyl-2-imidazo[4,5-b]pyridinyl)ethenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(E)-1-anilino-2-cyano-2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethenyl]sulfanylacetate Traditional Name: 2-[[(E)-1-anilino-2-cyano-2-(3-methylimidazo[4,5-b]pyridin-2-yl)vinyl]thio]acetic acid ethyl ester Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=C(C#N)C1=NC2=C(N1C)N=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CS/C(=C(\C#N)/C1=NC2=C(N1C)N=CC=C2)/NC3=CC=CC=C3

InChI

InChI=1S/C20H19N5O2S/c1-3-27-17(26)13-28-20(23-14-8-5-4-6-9-14)15(12-21)18-24-16-10-7-11-22-19(16)25(18)2/h4-11,23H,3,13H2,1-2H3/b20-15+