[1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)OC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C22H24N2O4S/c1-13(2)16-9-7-8-14(3)20(16)24-21(26)15(4)27-19(25)12-29-22-23-17-10-5-6-11-18(17)28-22/h5-11,13,15H,12H2,1-4H3,(H,24,26)