ethyl 2-[2-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)-3H-benzimidazol-5-yl]ethanoate

Systemtic Name: ethyl 2-[2-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)-3H-benzimidazol-5-yl]ethanoate Openeye Name: ethyl 2-[2-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)-3H-benzimidazol-5-yl]acetate CAS Name: 2-[2-(5,6,7,8-tetrahydroquinolin-8-ylthio)-3H-benzimidazol-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(5,6,7,8-tetrahydroquinolin-8-ylsulfanyl)-3H-benzimidazol-5-yl]acetate Traditional Name: 2-[2-(5,6,7,8-tetrahydroquinolin-8-ylthio)-3H-benzimidazol-5-yl]acetic acid ethyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC2=C(C=C1)N=C(N2)SC3CCCC4=C3N=CC=C4

Isomeric SMILES

CCOC(=O)CC1=CC2=C(C=C1)N=C(N2)SC3CCCC4=C3N=CC=C4

InChI

InChI=1S/C20H21N3O2S/c1-2-25-18(24)12-13-8-9-15-16(11-13)23-20(22-15)26-17-7-3-5-14-6-4-10-21-19(14)17/h4,6,8-11,17H,2-3,5,7,12H2,1H3,(H,22,23)