(4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]benzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]benzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate CAS Name: 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate Traditional Name: 3-(1,1-diketo-1,2-thiazolidin-2-yl)benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC(=CC=C3)N4CCCS4(=O)=O

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC(=CC=C3)N4CCCS4(=O)=O

InChI

InChI=1S/C22H24N2O5S/c25-21(23-11-1-2-12-23)18-9-7-17(8-10-18)16-29-22(26)19-5-3-6-20(15-19)24-13-4-14-30(24,27)28/h3,5-10,15H,1-2,4,11-14,16H2