[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CSCC1=NC2=CC=CC=C2N1CC(=O)OCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N4O3S/c1-28-13-18-23-16-4-2-3-5-17(16)24(18)11-20(26)27-12-19(25)22-15-8-6-14(10-21)7-9-15/h2-9H,11-13H2,1H3,(H,22,25)