ethyl 2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-3H-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-3H-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(3,4-dimethoxy-2-pyridyl)methylsulfanyl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[(3,4-dimethoxy-2-pyridinyl)methylthio]-3H-benzimidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-[(3,4-dimethoxy-2-pyridyl)methylthio]-3H-benzimidazole-5-carboxylic acid ethyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)SCC3=NC=CC(=C3OC)OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)SCC3=NC=CC(=C3OC)OC

InChI

InChI=1S/C18H19N3O4S/c1-4-25-17(22)11-5-6-12-13(9-11)21-18(20-12)26-10-14-16(24-3)15(23-2)7-8-19-14/h5-9H,4,10H2,1-3H3,(H,20,21)