5-[3-(2-carboxyethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[3-(2-carboxyethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-(2-carboxyethylsulfanyl)-2,5-dioxo-pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[3-(2-carboxyethylthio)-2,5-dioxo-1-pyrrolidinyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-(2-carboxyethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-(2-carboxyethylthio)-2,5-diketo-pyrrolidino]isophthalic acid Formula: C15H13NO8S MolecularWeight: 367.33062

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O)SCCC(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC(=CC(=C2)C(=O)O)C(=O)O)SCCC(=O)O

InChI

InChI=1S/C15H13NO8S/c17-11-6-10(25-2-1-12(18)19)13(20)16(11)9-4-7(14(21)22)3-8(5-9)15(23)24/h3-5,10H,1-2,6H2,(H,18,19)(H,21,22)(H,23,24)