1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanethioyl]-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanethioyl]-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: 1-[2-(tert-butoxycarbonylamino)ethanethioyl]-2,5-dihydropyrrole-2-carboxylic acid CAS Name: 1-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-sulfanylideneethyl]-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanethioyl]-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: 1-[2-(tert-butoxycarbonylamino)thioacetyl]-3-pyrroline-2-carboxylic acid Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=S)N1CC=CC1C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=S)N1CC=CC1C(=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)