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

Systemtic Name: 2-[4-[4-(4-carbamothioylphenyl)-2-methyl-4-oxidanylidene-butanoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[4-(4-carbamothioylphenyl)-2-methyl-4-oxo-butanoyl]phenoxy]acetic acid CAS Name: 2-[4-[4-(4-carbamothioylphenyl)-2-methyl-1,4-dioxobutyl]phenoxy]acetic acid IUPAC Name: 2-[4-[4-(4-carbamothioylphenyl)-2-methyl-4-oxobutanoyl]phenoxy]acetic acid Traditional Name: 2-[4-[4-keto-2-methyl-4-(4-thiocarbamoylphenyl)butanoyl]phenoxy]acetic acid Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5S/c1-12(10-17(22)13-2-4-15(5-3-13)20(21)27)19(25)14-6-8-16(9-7-14)26-11-18(23)24/h2-9,12H,10-11H2,1H3,(H2,21,27)(H,23,24)