prop-2-enyl 2-[[4-chloranyl-3-[(prop-2-enoxycarbonylamino)methyl]phenyl]sulfanylmethyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl 2-[[4-chloranyl-3-[(prop-2-enoxycarbonylamino)methyl]phenyl]sulfanylmethyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl 4-acetylsulfanyl-2-[[3-[(allyloxycarbonylamino)methyl]-4-chloro-phenyl]sulfanylmethyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[[[4-chloro-3-[[[oxo(prop-2-enoxy)methyl]amino]methyl]phenyl]thio]methyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-acetylsulfanyl-2-[[4-chloro-3-[(prop-2-enoxycarbonylamino)methyl]phenyl]sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[[[3-[(allyloxycarbonylamino)methyl]-4-chloro-phenyl]thio]methyl]pyrrolidine-1-carboxylic acid allyl ester Formula: C22H27ClN2O5S2 MolecularWeight: 499.04318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC=C)CSC2=CC(=C(C=C2)Cl)CNC(=O)OCC=C

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC=C)CSC2=CC(=C(C=C2)Cl)CNC(=O)OCC=C

InChI

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