methyl 5-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C21H17ClN2O3S/c1-26-20(25)19-10-8-16(27-19)13-28-21-23-17-11-15(22)7-9-18(17)24(21)12-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3