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

Systemtic Name: 2-[(3R)-2,5-bis(oxidanylidene)-1-propan-2-yl-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(3R)-1-isopropyl-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[(3R)-2,5-dioxo-1-propan-2-yl-3-pyrrolidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[(3R)-1-isopropyl-2,5-diketo-pyrrolidin-3-yl]thio]nicotinic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)CC(C1=O)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C)N1C(=O)C[C@H](C1=O)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c1-7(2)15-10(16)6-9(12(15)17)20-11-8(13(18)19)4-3-5-14-11/h3-5,7,9H,6H2,1-2H3,(H,18,19)/t9-/m1/s1