4-[[4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]anilino]-4-keto-butyric acid Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC(=O)O)C

InChI

InChI=1S/C21H24N2O4S/c1-3-15-6-4-5-14(2)21(15)23-19(25)13-28-17-9-7-16(8-10-17)22-18(24)11-12-20(26)27/h4-10H,3,11-13H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)