2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 1-phenylcyclopentane-1-carboxylate

Systemtic Name: 2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethyl 1-phenylcyclopentane-1-carboxylate Openeye Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 1-phenylcyclopentanecarboxylate CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl ester IUPAC Name: 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 1-phenylcyclopentane-1-carboxylate Traditional Name: 1-phenylcyclopentanecarboxylic acid 2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H21NO5S/c23-19-17-10-4-5-11-18(17)28(25,26)22(19)14-15-27-20(24)21(12-6-7-13-21)16-8-2-1-3-9-16/h1-5,8-11H,6-7,12-15H2