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

Systemtic Name: methyl 4-[[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN1C=CN=C1SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H17N3O3S/c1-18-8-7-16-15(18)22-10-13(19)17-9-11-3-5-12(6-4-11)14(20)21-2/h3-8H,9-10H2,1-2H3,(H,17,19)