(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-(phenylmethyl)benzoate

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-(phenylmethyl)benzoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-benzylbenzoate CAS Name: 4-(phenylmethyl)benzoic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-benzylbenzoate Traditional Name: 4-benzylbenzoic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C25H22N2O2S MolecularWeight: 414.51938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N2O2S/c28-24(20-10-8-19(9-11-20)16-18-6-2-1-3-7-18)29-21-12-13-22-23(17-21)30-25(26-22)27-14-4-5-15-27/h1-3,6-13,17H,4-5,14-16H2