ethyl 2-[C-[1H-benzimidazol-2-yl(cyano)methyl]-N-phenyl-carbonimidoyl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[C-[1H-benzimidazol-2-yl(cyano)methyl]-N-phenyl-carbonimidoyl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[C-[1H-benzimidazol-2-yl(cyano)methyl]-N-phenyl-carbonimidoyl]sulfanyl-3-oxo-butanoate CAS Name: 2-[[2-(1H-benzimidazol-2-yl)-2-cyano-1-phenyliminoethyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[C-[1H-benzimidazol-2-yl(cyano)methyl]-N-phenylcarbonimidoyl]sulfanyl-3-oxobutanoate Traditional Name: 2-[[C-[1H-benzimidazol-2-yl(cyano)methyl]-N-phenyl-carbonimidoyl]thio]-3-keto-butyric acid ethyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC(=NC1=CC=CC=C1)C(C#N)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC(=NC1=CC=CC=C1)C(C#N)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H20N4O3S/c1-3-29-22(28)19(14(2)27)30-21(24-15-9-5-4-6-10-15)16(13-23)20-25-17-11-7-8-12-18(17)26-20/h4-12,16,19H,3H2,1-2H3,(H,25,26)