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

Systemtic Name: 4-[[4-[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-(4-butoxycarbonylanilino)-2-oxo-ethyl]sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl]thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-(4-butoxycarbonylanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[[2-(4-butoxycarbonylanilino)-2-keto-ethyl]thio]anilino]-4-keto-butyric acid Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O6S/c1-2-3-14-31-23(30)16-4-6-17(7-5-16)25-21(27)15-32-19-10-8-18(9-11-19)24-20(26)12-13-22(28)29/h4-11H,2-3,12-15H2,1H3,(H,24,26)(H,25,27)(H,28,29)