[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-oxo-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-[[3-(4-methylphenyl)-5-isoxazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-keto-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethyl] ester Formula: C21H20N2O6S MolecularWeight: 428.4583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

InChI

InChI=1S/C21H20N2O6S/c1-13-4-7-15(8-5-13)18-11-20(29-23-18)22-19(24)12-28-21(25)17-10-16(30(3,26)27)9-6-14(17)2/h4-11H,12H2,1-3H3,(H,22,24)