(3,3-dimethyl-2-oxidanylidene-butyl) 2-[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[1-(4-carbamoylanilino)-1-oxopropan-2-yl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[2-(4-carbamoylanilino)-2-keto-1-methyl-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(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

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