[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-methyl-6-(2-thienyl)isoxazolo[5,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-6-thiophen-2-yl-4-isoxazolo[5,4-b]pyridinecarboxylic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-6-(2-thienyl)isoxazolo[5,4-b]pyridine-4-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C2C(=NO3)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=NC3=C2C(=NO3)C)C4=CC=CS4

InChI

InChI=1S/C22H18N2O4S/c1-12-6-8-15(9-7-12)20(25)14(3)27-22(26)16-11-17(18-5-4-10-29-18)23-21-19(16)13(2)24-28-21/h4-11,14H,1-3H3/t14-/m0/s1