[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-(thiazol-4-ylmethoxy)benzoate CAS Name: 3-(4-thiazolylmethoxy)benzoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 3-(thiazol-4-ylmethoxy)benzoic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)OCC3=CSC=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=CC=C2)OCC3=CSC=N3)C

InChI

InChI=1S/C21H20N2O4S/c1-14-6-15(2)8-17(7-14)23-20(24)11-27-21(25)16-4-3-5-19(9-16)26-10-18-12-28-13-22-18/h3-9,12-13H,10-11H2,1-2H3,(H,23,24)