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

Systemtic Name: methyl 4-[[3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[3-(2-oxo-2-pyrrolidin-1-yl-ethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-imidazo[4,5-c]pyridinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[3-(2-keto-2-pyrrolidino-ethyl)imidazo[4,5-c]pyridin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(N2CC(=O)N4CCCC4)C=NC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(N2CC(=O)N4CCCC4)C=NC=C3

InChI

InChI=1S/C21H22N4O3S/c1-28-20(27)16-6-4-15(5-7-16)14-29-21-23-17-8-9-22-12-18(17)25(21)13-19(26)24-10-2-3-11-24/h4-9,12H,2-3,10-11,13-14H2,1H3