methyl 4-[2-[5-methoxy-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoyl]benzoate

Systemtic Name: methyl 4-[2-[5-methoxy-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoyl]benzoate Openeye Name: methyl 4-[2-(1-benzyl-5-methoxy-benzimidazol-2-yl)sulfanylacetyl]benzoate CAS Name: 4-[2-[[5-methoxy-1-(phenylmethyl)-2-benzimidazolyl]thio]-1-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-benzyl-5-methoxybenzimidazol-2-yl)sulfanylacetyl]benzoate Traditional Name: 4-[2-[(1-benzyl-5-methoxy-benzimidazol-2-yl)thio]acetyl]benzoic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N2)SCC(=O)C3=CC=C(C=C3)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N2)SCC(=O)C3=CC=C(C=C3)C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4S/c1-30-20-12-13-22-21(14-20)26-25(27(22)15-17-6-4-3-5-7-17)32-16-23(28)18-8-10-19(11-9-18)24(29)31-2/h3-14H,15-16H2,1-2H3