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

Systemtic Name: 2-[2,5-bis(oxidanylidene)-1-propan-2-yl-pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-(1-isopropyl-2,5-dioxo-pyrrolidin-3-yl)sulfanylbenzoic acid CAS Name: 2-[(2,5-dioxo-1-propan-2-yl-3-pyrrolidinyl)thio]benzoic acid IUPAC Name: 2-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)sulfanylbenzoic acid Traditional Name: 2-[(1-isopropyl-2,5-diketo-pyrrolidin-3-yl)thio]benzoic acid Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)CC(C1=O)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)N1C(=O)CC(C1=O)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H15NO4S/c1-8(2)15-12(16)7-11(13(15)17)20-10-6-4-3-5-9(10)14(18)19/h3-6,8,11H,7H2,1-2H3,(H,18,19)