methyl 4-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(1,4,5-triphenyl-2-imidazolyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1,4,5-triphenylimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C31H25N3O3S MolecularWeight: 519.6135

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H25N3O3S/c1-37-30(36)24-17-19-25(20-18-24)32-27(35)21-38-31-33-28(22-11-5-2-6-12-22)29(23-13-7-3-8-14-23)34(31)26-15-9-4-10-16-26/h2-20H,21H2,1H3,(H,32,35)