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

Systemtic Name: 4-[3-ethylsulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 4-(3-ethylsulfanyl-2,5-dioxo-pyrrolidin-1-yl)benzoic acid CAS Name: 4-[3-(ethylthio)-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 4-(3-ethylsulfanyl-2,5-dioxopyrrolidin-1-yl)benzoic acid Traditional Name: 4-[3-(ethylthio)-2,5-diketo-pyrrolidino]benzoic acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCSC1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H13NO4S/c1-2-19-10-7-11(15)14(12(10)16)9-5-3-8(4-6-9)13(17)18/h3-6,10H,2,7H2,1H3,(H,17,18)