[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCC#C

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C18H18N4O4S/c1-3-8-19-15(23)11-26-17(25)13-6-4-5-7-14(13)21-16(24)12-27-18-20-9-10-22(18)2/h1,4-7,9-10H,8,11-12H2,2H3,(H,19,23)(H,21,24)