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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-p-phenetyl-pyrrolidine-3-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O4S/c1-2-26-16-9-7-15(8-10-16)23-12-14(11-20(23)24)21(25)27-13-19-22-17-5-3-4-6-18(17)28-19/h3-10,14H,2,11-13H2,1H3