N-[2-(2-carboxy-2,5-dihydropyrrol-1-yl)-2-sulfanylidene-ethyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate

Systemtic Name: N-[2-(2-carboxy-2,5-dihydropyrrol-1-yl)-2-sulfanylidene-ethyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate Openeye Name: 1-tert-butoxy-N-[2-(2-carboxy-2,5-dihydropyrrol-1-yl)-2-thioxo-ethyl]methanimidate CAS Name: N-[2-(2-carboxy-2,5-dihydropyrrol-1-yl)-2-sulfanylideneethyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate IUPAC Name: N-[2-(2-carboxy-2,5-dihydropyrrol-1-yl)-2-sulfanylideneethyl]-1-[(2-methylpropan-2-yl)oxy]methanimidate Traditional Name: 1-tert-butoxy-N-[2-(2-carboxy-3-pyrrolin-1-yl)-2-thioxo-ethyl]formimidate Formula: C12H17N2O4S- MolecularWeight: 285.33938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=NCC(=S)N1CC=CC1C(=O)O)[O-]

Isomeric SMILES

CC(C)(C)OC(=NCC(=S)N1CC=CC1C(=O)O)[O-]

InChI

InChI=1S/C12H18N2O4S/c1-12(2,3)18-11(17)13-7-9(19)14-6-4-5-8(14)10(15)16/h4-5,8H,6-7H2,1-3H3,(H,13,17)(H,15,16)/p-1