1-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]phenyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]phenyl]proline Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC=C(C=C2)C=CC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC(N(C1)C2=CC=C(C=C2)/C=C/C3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C20H18N2O2S/c23-20(24)17-5-3-13-22(17)15-10-7-14(8-11-15)9-12-19-21-16-4-1-2-6-18(16)25-19/h1-2,4,6-12,17H,3,5,13H2,(H,23,24)/b12-9+