(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C25H28N2O4S/c28-23(26-13-3-4-14-26)18-32-22-8-2-1-7-21(22)25(30)31-17-19-9-11-20(12-10-19)24(29)27-15-5-6-16-27/h1-2,7-12H,3-6,13-18H2