[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H20N2O3S/c1-13-9-14(2)11-15(10-13)21-18(23)12-25-20(24)8-7-19-22-16-5-3-4-6-17(16)26-19/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,23)