methyl 4-[2-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-(2-amino-2-oxo-ethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(2-amino-2-oxoethyl)-5-(hydroxymethyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(2-amino-2-oxoethyl)-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(2-amino-2-keto-ethyl)-5-methylol-imidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(N2CC(=O)N)CO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(N2CC(=O)N)CO

InChI

InChI=1S/C16H18N4O5S/c1-25-15(24)10-2-4-11(5-3-10)19-14(23)9-26-16-18-6-12(8-21)20(16)7-13(17)22/h2-6,21H,7-9H2,1H3,(H2,17,22)(H,19,23)