1,3-benzothiazol-2-ylmethyl 1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(p-tolyl)pyrrolidine-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S/c1-13-6-8-15(9-7-13)22-11-14(10-19(22)23)20(24)25-12-18-21-16-4-2-3-5-17(16)26-18/h2-9,14H,10-12H2,1H3