4-[3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 4-[3-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[3-(2-ethoxy-2-oxo-ethyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoic acid CAS Name: 4-[3-[(2-ethoxy-2-oxoethyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 4-[3-(2-ethoxy-2-oxoethyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoic acid Traditional Name: 4-[3-[(2-ethoxy-2-keto-ethyl)thio]-2,5-diketo-pyrrolidino]benzoic acid Formula: C15H15NO6S MolecularWeight: 337.3477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO6S/c1-2-22-13(18)8-23-11-7-12(17)16(14(11)19)10-5-3-9(4-6-10)15(20)21/h3-6,11H,2,7-8H2,1H3,(H,20,21)