[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C25H27N3O4S/c1-25(2,3)18-11-9-17(10-12-18)21(29)15-32-23(31)19-7-5-6-8-20(19)27-22(30)16-33-24-26-13-14-28(24)4/h5-14H,15-16H2,1-4H3,(H,27,30)