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

Systemtic Name: [1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [1-oxo-1-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H22N2O4S/c1-17(30-24(28)16-15-23-27-21-9-5-6-10-22(21)32-23)25(29)26-18-11-13-20(14-12-18)31-19-7-3-2-4-8-19/h2-14,17H,15-16H2,1H3,(H,26,29)