2-(4-ethoxyphenoxy)ethyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]pyrrolidine-2-carboxylate

Systemtic Name: 2-(4-ethoxyphenoxy)ethyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]pyrrolidine-2-carboxylate Openeye Name: 2-(4-ethoxyphenoxy)ethyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-pyrrolidinecarboxylic acid 2-(4-ethoxyphenoxy)ethyl ester IUPAC Name: 2-(4-ethoxyphenoxy)ethyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylic acid 2-(4-ethoxyphenoxy)ethyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCOC(=O)C2CCCN2C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCOC(=O)C2CCCN2C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H24N2O6S/c1-2-28-16-9-11-17(12-10-16)29-14-15-30-22(25)19-7-5-13-24(19)21-18-6-3-4-8-20(18)31(26,27)23-21/h3-4,6,8-12,19H,2,5,7,13-15H2,1H3