(4-methoxyphenyl)methyl 2-[(5-methylpyridin-2-yl)methylsulfanyl]thieno[3,4-d]imidazole-3-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 2-[(5-methylpyridin-2-yl)methylsulfanyl]thieno[3,4-d]imidazole-3-carboxylate Openeye Name: (4-methoxyphenyl)methyl 2-[(5-methyl-2-pyridyl)methylsulfanyl]thieno[3,4-d]imidazole-3-carboxylate CAS Name: 2-[(5-methyl-2-pyridinyl)methylthio]-3-thieno[3,4-d]imidazolecarboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2-[(5-methylpyridin-2-yl)methylsulfanyl]thieno[3,4-d]imidazole-3-carboxylate Traditional Name: 2-[(5-methyl-2-pyridyl)methylthio]thien[3,4-d]imidazole-3-carboxylic acid p-anisyl ester Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)CSC2=NC3=CSC=C3N2C(=O)OCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CN=C(C=C1)CSC2=NC3=CSC=C3N2C(=O)OCC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H19N3O3S2/c1-14-3-6-16(22-9-14)11-29-20-23-18-12-28-13-19(18)24(20)21(25)27-10-15-4-7-17(26-2)8-5-15/h3-9,12-13H,10-11H2,1-2H3