prop-2-enyl 4-ethanoylsulfanyl-2-[[5-[(E)-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]-2-prop-2-enoxy-phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl 4-ethanoylsulfanyl-2-[[5-[(E)-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]-2-prop-2-enoxy-phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: allyl 4-acetylsulfanyl-2-[[2-allyloxy-5-[(E)-3-allyloxy-3-oxo-prop-1-enyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[oxo-[5-[(E)-3-oxo-3-prop-2-enoxyprop-1-enyl]-2-prop-2-enoxyanilino]methyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-acetylsulfanyl-2-[[5-[(E)-3-oxo-3-prop-2-enoxyprop-1-enyl]-2-prop-2-enoxyphenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[[2-allyloxy-5-[(E)-3-allyloxy-3-keto-prop-1-enyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid allyl ester Formula: C26H30N2O7S MolecularWeight: 514.5906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC=C)C(=O)NC2=C(C=CC(=C2)C=CC(=O)OCC=C)OCC=C

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC=C)C(=O)NC2=C(C=CC(=C2)/C=C/C(=O)OCC=C)OCC=C

InChI

InChI=1S/C26H30N2O7S/c1-5-12-33-23-10-8-19(9-11-24(30)34-13-6-2)15-21(23)27-25(31)22-16-20(36-18(4)29)17-28(22)26(32)35-14-7-3/h5-11,15,20,22H,1-3,12-14,16-17H2,4H3,(H,27,31)/b11-9+