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

Systemtic Name: 4-[[4-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[[2-keto-2-(p-phenetidino)ethyl]thio]anilino]butyric acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C20H22N2O5S/c1-2-27-16-7-3-14(4-8-16)22-19(24)13-28-17-9-5-15(6-10-17)21-18(23)11-12-20(25)26/h3-10H,2,11-13H2,1H3,(H,21,23)(H,22,24)(H,25,26)