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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)CC(C1=O)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)CN1C(=O)CC(C1=O)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H17NO4S/c1-9(2)8-16-13(17)7-12(14(16)18)21-11-6-4-3-5-10(11)15(19)20/h3-6,9,12H,7-8H2,1-2H3,(H,19,20)