prop-2-enyl 5-[[4-chloranyl-3-[(prop-2-enoxycarbonylamino)methyl]phenyl]sulfanylmethyl]-3-ethanoylsulfanyl-pyrrolidine-3-carboxylate

Systemtic Name: prop-2-enyl 5-[[4-chloranyl-3-[(prop-2-enoxycarbonylamino)methyl]phenyl]sulfanylmethyl]-3-ethanoylsulfanyl-pyrrolidine-3-carboxylate Openeye Name: allyl 3-acetylsulfanyl-5-[[3-[(allyloxycarbonylamino)methyl]-4-chloro-phenyl]sulfanylmethyl]pyrrolidine-3-carboxylate CAS Name: 3-(acetylthio)-5-[[[4-chloro-3-[[[oxo(prop-2-enoxy)methyl]amino]methyl]phenyl]thio]methyl]-3-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-acetylsulfanyl-5-[[4-chloro-3-[(prop-2-enoxycarbonylamino)methyl]phenyl]sulfanylmethyl]pyrrolidine-3-carboxylate Traditional Name: 3-(acetylthio)-5-[[[3-[(allyloxycarbonylamino)methyl]-4-chloro-phenyl]thio]methyl]pyrrolidine-3-carboxylic acid allyl ester Formula: C22H27ClN2O5S2 MolecularWeight: 499.04318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1(CC(NC1)CSC2=CC(=C(C=C2)Cl)CNC(=O)OCC=C)C(=O)OCC=C

Isomeric SMILES

CC(=O)SC1(CC(NC1)CSC2=CC(=C(C=C2)Cl)CNC(=O)OCC=C)C(=O)OCC=C

InChI

InChI=1S/C22H27ClN2O5S2/c1-4-8-29-20(27)22(32-15(3)26)11-17(25-14-22)13-31-18-6-7-19(23)16(10-18)12-24-21(28)30-9-5-2/h4-7,10,17,25H,1-2,8-9,11-14H2,3H3,(H,24,28)