4-[[4-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-(4-butoxyanilino)-2-oxo-ethyl]sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[2-(4-butoxyanilino)-2-oxoethyl]thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[[2-(4-butoxyanilino)-2-keto-ethyl]thio]anilino]-4-keto-butyric acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C22H26N2O5S/c1-2-3-14-29-18-8-4-16(5-9-18)24-21(26)15-30-19-10-6-17(7-11-19)23-20(25)12-13-22(27)28/h4-11H,2-3,12-15H2,1H3,(H,23,25)(H,24,26)(H,27,28)