methyl (2S,4R)-1-(phenylmethyl)-4-prop-2-enyl-5-sulfanylidene-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-(phenylmethyl)-4-prop-2-enyl-5-sulfanylidene-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-allyl-1-benzyl-5-thioxo-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-1-(phenylmethyl)-4-prop-2-enyl-5-sulfanylidene-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-benzyl-4-prop-2-enyl-5-sulfanylidenepyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-allyl-1-benzyl-5-thioxo-pyrrolidine-2-carboxylic acid methyl ester Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C(=S)N1CC2=CC=CC=C2)CC=C

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](C(=S)N1CC2=CC=CC=C2)CC=C

InChI

InChI=1S/C16H19NO2S/c1-3-7-13-10-14(16(18)19-2)17(15(13)20)11-12-8-5-4-6-9-12/h3-6,8-9,13-14H,1,7,10-11H2,2H3/t13-,14+/m1/s1