1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: 1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: 1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid Traditional Name: 1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]-5-keto-pyrrolidine-3-carboxylic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC(=CC=C2)OCC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1C(CN(C1=O)C2=CC(=CC=C2)OCC3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C19H16N2O4S/c22-18-8-12(19(23)24)10-21(18)13-4-3-5-14(9-13)25-11-17-20-15-6-1-2-7-16(15)26-17/h1-7,9,12H,8,10-11H2,(H,23,24)