(phenylmethyl) 1-(3-oxidanylidene-3-phenyl-propyl)sulfanylcarbothioylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-(3-oxidanylidene-3-phenyl-propyl)sulfanylcarbothioylpyrrolidine-2-carboxylate Openeye Name: benzyl 1-(3-oxo-3-phenyl-propyl)sulfanylcarbothioylpyrrolidine-2-carboxylate CAS Name: 1-[[(3-oxo-3-phenylpropyl)thio]-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(3-oxo-3-phenylpropyl)sulfanylcarbothioylpyrrolidine-2-carboxylate Traditional Name: 1-[(3-keto-3-phenyl-propyl)thio]carbothioylpyrrolidine-2-carboxylic acid benzyl ester Formula: C22H23NO3S2 MolecularWeight: 413.55292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)SCCC(=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)C(=S)SCCC(=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO3S2/c24-20(18-10-5-2-6-11-18)13-15-28-22(27)23-14-7-12-19(23)21(25)26-16-17-8-3-1-4-9-17/h1-6,8-11,19H,7,12-16H2