ethyl 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-3,4-dihydro-2H-quinoline-3-carboxylate

Systemtic Name: ethyl 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-3,4-dihydro-2H-quinoline-3-carboxylate Openeye Name: ethyl 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-3,4-dihydro-2H-quinoline-3-carboxylate CAS Name: 8-[(1H-benzimidazol-2-ylthio)methyl]-1-ethyl-3,4-dihydro-2H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-3,4-dihydro-2H-quinoline-3-carboxylate Traditional Name: 8-[(1H-benzimidazol-2-ylthio)methyl]-1-ethyl-3,4-dihydro-2H-quinoline-3-carboxylic acid ethyl ester Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(CC2=C1C(=CC=C2)CSC3=NC4=CC=CC=C4N3)C(=O)OCC

Isomeric SMILES

CCN1CC(CC2=C1C(=CC=C2)CSC3=NC4=CC=CC=C4N3)C(=O)OCC

InChI

InChI=1S/C22H25N3O2S/c1-3-25-13-17(21(26)27-4-2)12-15-8-7-9-16(20(15)25)14-28-22-23-18-10-5-6-11-19(18)24-22/h5-11,17H,3-4,12-14H2,1-2H3,(H,23,24)