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

Systemtic Name: 5-[3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[3-(2-ethoxy-2-oxo-ethyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzene-1,3-dicarboxylic acid CAS Name: 5-[3-[(2-ethoxy-2-oxoethyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[3-(2-ethoxy-2-oxoethyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[3-[(2-ethoxy-2-keto-ethyl)thio]-2,5-diketo-pyrrolidino]isophthalic acid Formula: C16H15NO8S MolecularWeight: 381.3572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO8S/c1-2-25-13(19)7-26-11-6-12(18)17(14(11)20)10-4-8(15(21)22)3-9(5-10)16(23)24/h3-5,11H,2,6-7H2,1H3,(H,21,22)(H,23,24)