methyl (E)-7-[(5R)-2-oxidanylidene-5-(phenethylcarbamothioyloxymethyl)pyrrolidin-1-yl]hept-5-enoate

Systemtic Name: methyl (E)-7-[(5R)-2-oxidanylidene-5-(phenethylcarbamothioyloxymethyl)pyrrolidin-1-yl]hept-5-enoate Openeye Name: methyl (E)-7-[(5R)-2-oxo-5-(phenethylcarbamothioyloxymethyl)pyrrolidin-1-yl]hept-5-enoate CAS Name: (E)-7-[(5R)-2-oxo-5-[[(phenethylamino)-sulfanylidenemethoxy]methyl]-1-pyrrolidinyl]-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-7-[(5R)-2-oxo-5-(phenethylcarbamothioyloxymethyl)pyrrolidin-1-yl]hept-5-enoate Traditional Name: (E)-7-[(5R)-2-keto-5-(phenethylthiocarbamoyloxymethyl)pyrrolidino]hept-5-enoic acid methyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=CCN1C(CCC1=O)COC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC/C=C/CN1[C@H](CCC1=O)COC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H30N2O4S/c1-27-21(26)11-7-2-3-8-16-24-19(12-13-20(24)25)17-28-22(29)23-15-14-18-9-5-4-6-10-18/h3-6,8-10,19H,2,7,11-17H2,1H3,(H,23,29)/b8-3+/t19-/m1/s1