(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(4-acetamidoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(4-acetamidoanilino)-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H26N2O5S MolecularWeight: 442.52794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C23H26N2O5S/c1-15(26)24-16-9-11-17(12-10-16)25-21(28)14-31-19-8-6-5-7-18(19)22(29)30-13-20(27)23(2,3)4/h5-12H,13-14H2,1-4H3,(H,24,26)(H,25,28)