(4-aminocarbonylphenyl)methyl 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: (4-aminocarbonylphenyl)methyl 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: (4-carbamoylphenyl)methyl 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)methyl 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid (4-carbamoylbenzyl) ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H20N4O4S/c1-25-11-10-23-21(25)30-13-18(26)24-17-5-3-2-4-16(17)20(28)29-12-14-6-8-15(9-7-14)19(22)27/h2-11H,12-13H2,1H3,(H2,22,27)(H,24,26)