[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [1-oxo-1-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C26H24N2O4S MolecularWeight: 460.54476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H24N2O4S/c1-18(31-25(29)13-7-12-24-28-22-10-5-6-11-23(22)33-24)26(30)27-19-14-16-21(17-15-19)32-20-8-3-2-4-9-20/h2-6,8-11,14-18H,7,12-13H2,1H3,(H,27,30)