ethyl 1-ethyl-3-[(4-methoxycarbonylpiperidin-1-yl)methyl]-2-sulfanylidene-benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[(4-methoxycarbonylpiperidin-1-yl)methyl]-2-sulfanylidene-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[(4-methoxycarbonyl-1-piperidyl)methyl]-2-thioxo-benzimidazole-5-carboxylate CAS Name: 1-ethyl-3-[(4-methoxycarbonyl-1-piperidinyl)methyl]-2-sulfanylidene-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[(4-methoxycarbonylpiperidin-1-yl)methyl]-2-sulfanylidenebenzimidazole-5-carboxylate Traditional Name: 3-[(4-carbomethoxypiperidino)methyl]-1-ethyl-2-thioxo-benzimidazole-5-carboxylic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)CN3CCC(CC3)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=S)CN3CCC(CC3)C(=O)OC

InChI

InChI=1S/C20H27N3O4S/c1-4-22-16-7-6-15(19(25)27-5-2)12-17(16)23(20(22)28)13-21-10-8-14(9-11-21)18(24)26-3/h6-7,12,14H,4-5,8-11,13H2,1-3H3