(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (2-keto-1-phenyl-2-pyrrolidino-ethyl) ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O3S/c25-20(13-12-19-23-17-10-4-5-11-18(17)28-19)27-21(16-8-2-1-3-9-16)22(26)24-14-6-7-15-24/h1-5,8-11,21H,6-7,12-15H2