methyl 4-[[3-(1-methoxy-1-oxidanylidene-propan-2-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[3-(1-methoxy-1-oxidanylidene-propan-2-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-(2-methoxy-1-methyl-2-oxo-ethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-(1-methoxy-1-oxopropan-2-yl)-2-imidazo[4,5-c]pyridinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1-methoxy-1-oxopropan-2-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-(2-keto-2-methoxy-1-methyl-ethyl)imidazo[4,5-c]pyridin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1C2=C(C=CN=C2)N=C1SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C(=O)OC)N1C2=C(C=CN=C2)N=C1SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H19N3O4S/c1-12(17(23)25-2)22-16-10-20-9-8-15(16)21-19(22)27-11-13-4-6-14(7-5-13)18(24)26-3/h4-10,12H,11H2,1-3H3