(2-phenyl-1,3-thiazol-4-yl)methyl 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-chloro-3-(2-oxo-1-pyrrolidinyl)benzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-chloro-3-(2-ketopyrrolidino)benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H17ClN2O3S/c22-17-9-8-15(11-18(17)24-10-4-7-19(24)25)21(26)27-12-16-13-28-20(23-16)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13H,4,7,10,12H2