(1-cyanoindolizin-2-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentanecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C24H21N3O2S MolecularWeight: 415.50744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC2=NC3=CC=CC=C3S2)C(=O)OCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

C1CCC(C1)(CC2=NC3=CC=CC=C3S2)C(=O)OCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C24H21N3O2S/c25-14-18-17(15-27-12-6-3-8-20(18)27)16-29-23(28)24(10-4-5-11-24)13-22-26-19-7-1-2-9-21(19)30-22/h1-3,6-9,12,15H,4-5,10-11,13,16H2