ethyl 2-[C-[(R)-1H-benzimidazol-2-yl(cyano)methyl]-N-phenyl-carbonimidoyl]sulfanylethanoate

Systemtic Name: ethyl 2-[C-[(R)-1H-benzimidazol-2-yl(cyano)methyl]-N-phenyl-carbonimidoyl]sulfanylethanoate Openeye Name: ethyl 2-[C-[(R)-1H-benzimidazol-2-yl(cyano)methyl]-N-phenyl-carbonimidoyl]sulfanylacetate CAS Name: 2-[[(2R)-2-(1H-benzimidazol-2-yl)-2-cyano-1-phenyliminoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[C-[(R)-1H-benzimidazol-2-yl(cyano)methyl]-N-phenylcarbonimidoyl]sulfanylacetate Traditional Name: 2-[[C-[(R)-1H-benzimidazol-2-yl(cyano)methyl]-N-phenyl-carbonimidoyl]thio]acetic acid ethyl ester Formula: C20H18N4O2S MolecularWeight: 378.44752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)CSC(=NC1=CC=CC=C1)[C@H](C#N)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H18N4O2S/c1-2-26-18(25)13-27-20(22-14-8-4-3-5-9-14)15(12-21)19-23-16-10-6-7-11-17(16)24-19/h3-11,15H,2,13H2,1H3,(H,23,24)/t15-/m1/s1