2-[4-[2-(2-acetyloxyethyl)-4-(4-carbamothioylphenyl)-4-oxidanylidene-butanoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-(2-acetyloxyethyl)-4-(4-carbamothioylphenyl)-4-oxidanylidene-butanoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-(2-acetoxyethyl)-4-(4-carbamothioylphenyl)-4-oxo-butanoyl]phenoxy]acetic acid CAS Name: 2-[4-[2-(2-acetyloxyethyl)-4-(4-carbamothioylphenyl)-1,4-dioxobutyl]phenoxy]acetic acid IUPAC Name: 2-[4-[2-(2-acetyloxyethyl)-4-(4-carbamothioylphenyl)-4-oxobutanoyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-(2-acetoxyethyl)-4-keto-4-(4-thiocarbamoylphenyl)butanoyl]phenoxy]acetic acid Formula: C23H23NO7S MolecularWeight: 457.49622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(CC(=O)C1=CC=C(C=C1)C(=S)N)C(=O)C2=CC=C(C=C2)OCC(=O)O

Isomeric SMILES

CC(=O)OCCC(CC(=O)C1=CC=C(C=C1)C(=S)N)C(=O)C2=CC=C(C=C2)OCC(=O)O

InChI

InChI=1S/C23H23NO7S/c1-14(25)30-11-10-18(12-20(26)15-2-4-17(5-3-15)23(24)32)22(29)16-6-8-19(9-7-16)31-13-21(27)28/h2-9,18H,10-13H2,1H3,(H2,24,32)(H,27,28)