prop-2-enyl (2S,4S)-2-[2-(methylcarbamothioylamino)ethylcarbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-2-[2-(methylcarbamothioylamino)ethylcarbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[2-(methylcarbamothioylamino)ethylcarbamoyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[[2-[[methylamino(sulfanylidene)methyl]amino]ethylamino]-oxomethyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[2-(methylcarbamothioylamino)ethylcarbamoyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-[2-(methylthiocarbamoylamino)ethylcarbamoyl]pyrrolidine-1-carboxylic acid allyl ester Formula: C13H22N4O3S2 MolecularWeight: 346.46878

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCCNC(=O)C1CC(CN1C(=O)OCC=C)S

Isomeric SMILES

CNC(=S)NCCNC(=O)[C@@H]1C[C@@H](CN1C(=O)OCC=C)S

InChI

InChI=1S/C13H22N4O3S2/c1-3-6-20-13(19)17-8-9(21)7-10(17)11(18)15-4-5-16-12(22)14-2/h3,9-10,21H,1,4-8H2,2H3,(H,15,18)(H2,14,16,22)/t9-,10-/m0/s1