(2-naphthalen-2-yl-2-oxidanylidene-ethyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(2-naphthyl)-2-oxo-ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoic acid [2-(2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-2-yl-2-oxoethyl) 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoic acid [2-keto-2-(2-naphthyl)ethyl] ester Formula: C25H21NO4S MolecularWeight: 431.50354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OCC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OCC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H21NO4S/c1-16-22(17(2)30-26-16)15-31-24-10-6-5-9-21(24)25(28)29-14-23(27)20-12-11-18-7-3-4-8-19(18)13-20/h3-13H,14-15H2,1-2H3