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

Systemtic Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-3,4-dihydro-2H-quinoline-3-carboxylic acid Openeye Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-3,4-dihydro-2H-quinoline-3-carboxylic acid CAS Name: 8-[(1H-benzimidazol-2-ylthio)methyl]-1-ethyl-3,4-dihydro-2H-quinoline-3-carboxylic acid IUPAC Name: 8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-3,4-dihydro-2H-quinoline-3-carboxylic acid Traditional Name: 8-[(1H-benzimidazol-2-ylthio)methyl]-1-ethyl-3,4-dihydro-2H-quinoline-3-carboxylic acid Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c1-2-23-11-15(19(24)25)10-13-6-5-7-14(18(13)23)12-26-20-21-16-8-3-4-9-17(16)22-20/h3-9,15H,2,10-12H2,1H3,(H,21,22)(H,24,25)