ethyl 1-ethyl-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-sulfanylidene-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-sulfanylidene-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-2-thioxo-benzimidazole-5-carboxylate CAS Name: 1-ethyl-3-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-2-sulfanylidene-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-2-sulfanylidenebenzimidazole-5-carboxylate Traditional Name: 1-ethyl-3-[[2-(3-pyridyl)pyrrolidino]methyl]-2-thioxo-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)CN3CCCC3C4=CN=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)CN3CCCC3C4=CN=CC=C4

InChI

InChI=1S/C22H26N4O2S/c1-3-25-19-10-9-16(21(27)28-4-2)13-20(19)26(22(25)29)15-24-12-6-8-18(24)17-7-5-11-23-14-17/h5,7,9-11,13-14,18H,3-4,6,8,12,15H2,1-2H3