ethyl 4-[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoate Openeye Name: ethyl 4-[2-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoate CAS Name: 4-[[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoate Traditional Name: 4-[2-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]thio]propanoylamino]benzoic acid ethyl ester Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=C(N2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=C(N2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H29N3O3S/c1-5-35-28(34)23-14-16-24(17-15-23)30-27(33)20(4)36-29-31-25(21-10-6-18(2)7-11-21)26(32-29)22-12-8-19(3)9-13-22/h6-17,20H,5H2,1-4H3,(H,30,33)(H,31,32)