[4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-methyl-pyridin-3-yl]methyl 2-methylbenzoate

Systemtic Name: [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-methyl-pyridin-3-yl]methyl 2-methylbenzoate Openeye Name: [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-methyl-3-pyridyl]methyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]-5-methyl-3-pyridinyl]methyl ester IUPAC Name: [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-5-methylpyridin-3-yl]methyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-methoxy-6-[[(6-methoxy-1H-benzimidazol-2-yl)thio]methyl]-5-methyl-3-pyridyl]methyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC2=CN=C(C(=C2OC)C)CSC3=NC4=C(N3)C=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC2=CN=C(C(=C2OC)C)CSC3=NC4=C(N3)C=C(C=C4)OC

InChI

InChI=1S/C25H25N3O4S/c1-15-7-5-6-8-19(15)24(29)32-13-17-12-26-22(16(2)23(17)31-4)14-33-25-27-20-10-9-18(30-3)11-21(20)28-25/h5-12H,13-14H2,1-4H3,(H,27,28)