5-[3-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[3-(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[3-[(2-acetamido-3-hydroxy-3-oxopropyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-(2-acetamido-3-hydroxy-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-[(2-acetamido-3-hydroxy-3-keto-propyl)thio]-2,5-diketo-pyrrolidino]isophthalic acid Formula: C17H16N2O9S MolecularWeight: 424.38194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1CC(=O)N(C1=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC1CC(=O)N(C1=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C17H16N2O9S/c1-7(20)18-11(17(27)28)6-29-12-5-13(21)19(14(12)22)10-3-8(15(23)24)2-9(4-10)16(25)26/h2-4,11-12H,5-6H2,1H3,(H,18,20)(H,23,24)(H,25,26)(H,27,28)