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

Systemtic Name: 2-[4-[2-(2-acetyloxyethyl)-4-(4-carbamothioylphenyl)-4-oxidanylidene-butanoyl]phenoxy]butanoic acid Openeye Name: 2-[4-[2-(2-acetoxyethyl)-4-(4-carbamothioylphenyl)-4-oxo-butanoyl]phenoxy]butanoic acid CAS Name: 2-[4-[2-(2-acetyloxyethyl)-4-(4-carbamothioylphenyl)-1,4-dioxobutyl]phenoxy]butanoic acid IUPAC Name: 2-[4-[2-(2-acetyloxyethyl)-4-(4-carbamothioylphenyl)-4-oxobutanoyl]phenoxy]butanoic acid Traditional Name: 2-[4-[2-(2-acetoxyethyl)-4-keto-4-(4-thiocarbamoylphenyl)butanoyl]phenoxy]butyric acid Formula: C25H27NO7S MolecularWeight: 485.54938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC=C(C=C1)C(=O)C(CCOC(=O)C)CC(=O)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CCC(C(=O)O)OC1=CC=C(C=C1)C(=O)C(CCOC(=O)C)CC(=O)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C25H27NO7S/c1-3-22(25(30)31)33-20-10-8-17(9-11-20)23(29)19(12-13-32-15(2)27)14-21(28)16-4-6-18(7-5-16)24(26)34/h4-11,19,22H,3,12-14H2,1-2H3,(H2,26,34)(H,30,31)