1,3-benzothiazol-2-ylmethyl 1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(3-fluoro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(3-fluoro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-5-keto-pyrrolidine-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H17FN2O3S MolecularWeight: 384.423983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCC3=NC4=CC=CC=C4S3)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCC3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C20H17FN2O3S/c1-12-6-7-14(9-15(12)21)23-10-13(8-19(23)24)20(25)26-11-18-22-16-4-2-3-5-17(16)27-18/h2-7,9,13H,8,10-11H2,1H3