(4-methoxyphenyl)methyl 4-ethanoylsulfanyl-2-[(phenylmethyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl 4-ethanoylsulfanyl-2-[(phenylmethyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: (4-methoxyphenyl)methyl 4-acetylsulfanyl-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[oxo-[(phenylmethyl)amino]methyl]-1-pyrrolidinecarboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 4-acetylsulfanyl-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylic acid p-anisyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)OC)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)OC)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O5S/c1-16(26)31-20-12-21(22(27)24-13-17-6-4-3-5-7-17)25(14-20)23(28)30-15-18-8-10-19(29-2)11-9-18/h3-11,20-21H,12-15H2,1-2H3,(H,24,27)