5-[(4-ethylsulfanyl-4-methyl-3-oxidanylidene-2-phenoxy-pentanoyl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(4-ethylsulfanyl-4-methyl-3-oxidanylidene-2-phenoxy-pentanoyl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(4-ethylsulfanyl-4-methyl-3-oxo-2-phenoxy-pentanoyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[4-(ethylthio)-4-methyl-1,3-dioxo-2-phenoxypentyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(4-ethylsulfanyl-4-methyl-3-oxo-2-phenoxypentanoyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[4-(ethylthio)-3-keto-4-methyl-2-phenoxy-pentanoyl]amino]isophthalic acid Formula: C22H23NO7S MolecularWeight: 445.48552

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(C)C(=O)C(C(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O)OC2=CC=CC=C2

Isomeric SMILES

CCSC(C)(C)C(=O)C(C(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C22H23NO7S/c1-4-31-22(2,3)18(24)17(30-16-8-6-5-7-9-16)19(25)23-15-11-13(20(26)27)10-14(12-15)21(28)29/h5-12,17H,4H2,1-3H3,(H,23,25)(H,26,27)(H,28,29)