methyl 4-[[2-(1-ethylimidazol-2-yl)sulfanylpropanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(1-ethylimidazol-2-yl)sulfanylpropanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-(1-ethylimidazol-2-yl)sulfanylpropanoylamino]methyl]benzoate CAS Name: 4-[[[2-[(1-ethyl-2-imidazolyl)thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-ethylimidazol-2-yl)sulfanylpropanoylamino]methyl]benzoate Traditional Name: 4-[[2-[(1-ethylimidazol-2-yl)thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1SC(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCN1C=CN=C1SC(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H21N3O3S/c1-4-20-10-9-18-17(20)24-12(2)15(21)19-11-13-5-7-14(8-6-13)16(22)23-3/h5-10,12H,4,11H2,1-3H3,(H,19,21)