[2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)C)C

InChI

InChI=1S/C22H24N2O4S/c1-14-9-15(2)16(3)19(10-14)27-8-4-7-23-21(25)12-28-22(26)17-5-6-18-20(11-17)29-13-24-18/h5-6,9-11,13H,4,7-8,12H2,1-3H3,(H,23,25)