[methoxy(phenyl)methyl] 4-[[(4-ethanoylsulfanylpyrrolidin-2-yl)carbonylamino]methyl]benzoate

Systemtic Name: [methoxy(phenyl)methyl] 4-[[(4-ethanoylsulfanylpyrrolidin-2-yl)carbonylamino]methyl]benzoate Openeye Name: [methoxy(phenyl)methyl] 4-[[(4-acetylsulfanylpyrrolidine-2-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[[4-(acetylthio)-2-pyrrolidinyl]-oxomethyl]amino]methyl]benzoic acid [methoxy(phenyl)methyl] ester IUPAC Name: [methoxy(phenyl)methyl] 4-[[(4-acetylsulfanylpyrrolidine-2-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[[4-(acetylthio)prolyl]amino]methyl]benzoic acid [methoxy(phenyl)methyl] ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(NC1)C(=O)NCC2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)OC

Isomeric SMILES

CC(=O)SC1CC(NC1)C(=O)NCC2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)OC

InChI

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