[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]acetic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]acetic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C26H23ClN2O3S MolecularWeight: 478.99042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C26H23ClN2O3S/c1-2-18-8-10-20(11-9-18)24(30)16-32-25(31)17-33-26-28-22-14-21(27)12-13-23(22)29(26)15-19-6-4-3-5-7-19/h3-14H,2,15-17H2,1H3