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

Systemtic Name: tert-butyl N-[2-(2-methanoyl-2,5-dihydropyrrol-1-yl)-2-sulfanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-(2-formyl-2,5-dihydropyrrol-1-yl)-2-thioxo-ethyl]carbamate CAS Name: N-[2-(2-formyl-2,5-dihydropyrrol-1-yl)-2-sulfanylideneethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(2-formyl-2,5-dihydropyrrol-1-yl)-2-sulfanylideneethyl]carbamate Traditional Name: N-[2-(2-formyl-3-pyrrolin-1-yl)-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3S/c1-12(2,3)17-11(16)13-7-10(18)14-6-4-5-9(14)8-15/h4-5,8-9H,6-7H2,1-3H3,(H,13,16)