ethyl 4-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]butanoate

Systemtic Name: ethyl 4-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]butanoate Openeye Name: ethyl 4-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)thiazol-5-yl]butanoate CAS Name: 4-[2-(1-benzimidazolyl)-4-(4-chlorophenyl)-5-thiazolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]butanoate Traditional Name: 4-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)thiazol-5-yl]butyric acid ethyl ester Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=C(N=C(S1)N2C=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)CCCC1=C(N=C(S1)N2C=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O2S/c1-2-28-20(27)9-5-8-19-21(15-10-12-16(23)13-11-15)25-22(29-19)26-14-24-17-6-3-4-7-18(17)26/h3-4,6-7,10-14H,2,5,8-9H2,1H3