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

Systemtic Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-(phenylcarbonyl)benzoate Openeye Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-benzoylbenzoate CAS Name: 4-benzoylbenzoic acid [2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl) 4-benzoylbenzoate Traditional Name: 4-benzoylbenzoic acid (2-pyrrolidino-1,3-benzothiazol-6-yl) ester Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O3S/c28-23(17-6-2-1-3-7-17)18-8-10-19(11-9-18)24(29)30-20-12-13-21-22(16-20)31-25(26-21)27-14-4-5-15-27/h1-3,6-13,16H,4-5,14-15H2