methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-(2,5-dimethylphenyl)sulfanylethanoyloxy]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-(2,5-dimethylphenyl)sulfanylethanoyloxy]-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-(2,5-dimethylphenyl)sulfanylacetyl]oxy-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-[(2,5-dimethylphenyl)thio]-1-oxoethoxy]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-(2,5-dimethylphenyl)sulfanylacetyl]oxy-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[2-[(2,5-dimethylphenyl)thio]acetyl]oxy-3-keto-butyric acid methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C22H22N2O5S/c1-13-8-9-14(2)18(10-13)30-12-19(26)29-11-17(25)20(22(27)28-3)21-23-15-6-4-5-7-16(15)24-21/h4-10,23-24H,11-12H2,1-3H3