(phenylmethyl) 2-(diethoxymethyl)-1-pyrrolidin-2-ylcarbonyl-3,4-bis(sulfanylidene)pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 2-(diethoxymethyl)-1-pyrrolidin-2-ylcarbonyl-3,4-bis(sulfanylidene)pyrrolidine-2-carboxylate Openeye Name: benzyl 2-(diethoxymethyl)-1-(pyrrolidine-2-carbonyl)-3,4-dithioxo-pyrrolidine-2-carboxylate CAS Name: 2-(diethoxymethyl)-1-[oxo(2-pyrrolidinyl)methyl]-3,4-bis(sulfanylidene)-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(diethoxymethyl)-1-(pyrrolidine-2-carbonyl)-3,4-bis(sulfanylidene)pyrrolidine-2-carboxylate Traditional Name: 2-(diethoxymethyl)-1-prolyl-3,4-dithioxo-pyrrolidine-2-carboxylic acid benzyl ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1(C(=S)C(=S)CN1C(=O)C2CCCN2)C(=O)OCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC(C1(C(=S)C(=S)CN1C(=O)C2CCCN2)C(=O)OCC3=CC=CC=C3)OCC

InChI

InChI=1S/C22H28N2O5S2/c1-3-27-21(28-4-2)22(20(26)29-14-15-9-6-5-7-10-15)18(31)17(30)13-24(22)19(25)16-11-8-12-23-16/h5-7,9-10,16,21,23H,3-4,8,11-14H2,1-2H3