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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)CC(C1=O)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCN1C(=O)CC(C1=O)SC2=CC=CC=C2C(=O)O

InChI

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