methyl 3-[[4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]propanoate Openeye Name: methyl 3-[[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoyl]amino]propanoate CAS Name: 3-[[[4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoyl]amino]propanoate Traditional Name: 3-[[4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoyl]amino]propionic acid methyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCCC(=O)OC

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCCC(=O)OC

InChI

InChI=1S/C17H20N4O4S/c1-21-10-9-19-17(21)26-11-14(22)20-13-5-3-12(4-6-13)16(24)18-8-7-15(23)25-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,18,24)(H,20,22)