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

Systemtic Name: 4-[1-butan-2-yl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 4-(2,5-dioxo-1-sec-butyl-pyrrolidin-3-yl)sulfanylbenzoic acid CAS Name: 4-[(1-butan-2-yl-2,5-dioxo-3-pyrrolidinyl)thio]benzoic acid IUPAC Name: 4-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)sulfanylbenzoic acid Traditional Name: 4-[(2,5-diketo-1-sec-butyl-pyrrolidin-3-yl)thio]benzoic acid Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)CC(C1=O)SC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC(C)N1C(=O)CC(C1=O)SC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H17NO4S/c1-3-9(2)16-13(17)8-12(14(16)18)21-11-6-4-10(5-7-11)15(19)20/h4-7,9,12H,3,8H2,1-2H3,(H,19,20)