tert-butyl N-[2-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]-2-sulfanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]-2-sulfanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]-2-thioxo-ethyl]carbamate CAS Name: N-[2-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]-2-sulfanylideneethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]-2-sulfanylideneethyl]carbamate Traditional Name: N-[2-(2-methylol-3-pyrrolin-1-yl)-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C12H20N2O3S MolecularWeight: 272.3638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=S)N1CC=CC1CO

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=S)N1CC=CC1CO

InChI

InChI=1S/C12H20N2O3S/c1-12(2,3)17-11(16)13-7-10(18)14-6-4-5-9(14)8-15/h4-5,9,15H,6-8H2,1-3H3,(H,13,16)