(phenylmethyl) (3S)-1-[(1R)-1-phenylethyl]-5-sulfanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (phenylmethyl) (3S)-1-[(1R)-1-phenylethyl]-5-sulfanylidene-pyrrolidine-3-carboxylate Openeye Name: benzyl (3S)-1-[(1R)-1-phenylethyl]-5-thioxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[(1R)-1-phenylethyl]-5-sulfanylidene-3-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-1-[(1R)-1-phenylethyl]-5-sulfanylidenepyrrolidine-3-carboxylate Traditional Name: (3S)-1-[(1R)-1-phenylethyl]-5-thioxo-pyrrolidine-3-carboxylic acid benzyl ester Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC(CC2=S)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C[C@H](CC2=S)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO2S/c1-15(17-10-6-3-7-11-17)21-13-18(12-19(21)24)20(22)23-14-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-,18+/m1/s1