methyl (2S,4S)-1-(phenylmethyl)-4-propa-1,2-dienyl-5-sulfanylidene-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-1-(phenylmethyl)-4-propa-1,2-dienyl-5-sulfanylidene-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-1-benzyl-4-propa-1,2-dienyl-5-thioxo-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-1-(phenylmethyl)-4-propa-1,2-dienyl-5-sulfanylidene-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-benzyl-4-propa-1,2-dienyl-5-sulfanylidenepyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-benzyl-4-propa-1,2-dienyl-5-thioxo-pyrrolidine-2-carboxylic acid methyl ester Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO2S/c1-3-7-13-10-14(16(18)19-2)17(15(13)20)11-12-8-5-4-6-9-12/h4-9,13-14H,1,10-11H2,2H3/t13-,14+/m1/s1