ethyl 2-[1-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[1-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]benzimidazol-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[1-[2-(2,5-dimethylanilino)-2-oxo-ethyl]benzimidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-benzimidazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-[2-(2,5-dimethylanilino)-2-keto-ethyl]benzimidazol-2-yl]thio]acetic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2N1CC(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2N1CC(=O)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H23N3O3S/c1-4-27-20(26)13-28-21-23-16-7-5-6-8-18(16)24(21)12-19(25)22-17-11-14(2)9-10-15(17)3/h5-11H,4,12-13H2,1-3H3,(H,22,25)