(phenylmethyl) 1-(3-oxidanylidenebutylsulfanylcarbothioyl)pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-(3-oxidanylidenebutylsulfanylcarbothioyl)pyrrolidine-2-carboxylate Openeye Name: benzyl 1-(3-oxobutylsulfanylcarbothioyl)pyrrolidine-2-carboxylate CAS Name: 1-[(3-oxobutylthio)-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(3-oxobutylsulfanylcarbothioyl)pyrrolidine-2-carboxylate Traditional Name: 1-(3-ketobutylthio)carbothioylpyrrolidine-2-carboxylic acid benzyl ester Formula: C17H21NO3S2 MolecularWeight: 351.48354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC(=S)N1CCCC1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)CCSC(=S)N1CCCC1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H21NO3S2/c1-13(19)9-11-23-17(22)18-10-5-8-15(18)16(20)21-12-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3