methyl 1-[(2-chloranyl-4-ethylsulfanyl-phenyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate

Systemtic Name: methyl 1-[(2-chloranyl-4-ethylsulfanyl-phenyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate Openeye Name: methyl 1-[(2-chloro-4-ethylsulfanyl-phenyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate CAS Name: 1-[[2-chloro-4-(ethylthio)phenyl]methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chloro-4-ethylsulfanylphenyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate Traditional Name: 1-[2-chloro-4-(ethylthio)benzyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylic acid methyl ester Formula: C18H20ClN3O2S MolecularWeight: 377.8883

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C(C=C1)CN2C(NC3=C2C=CC(=N3)C(=O)OC)C)Cl

Isomeric SMILES

CCSC1=CC(=C(C=C1)CN2C(NC3=C2C=CC(=N3)C(=O)OC)C)Cl

InChI

InChI=1S/C18H20ClN3O2S/c1-4-25-13-6-5-12(14(19)9-13)10-22-11(2)20-17-16(22)8-7-15(21-17)18(23)24-3/h5-9,11H,4,10H2,1-3H3,(H,20,21)