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

Systemtic Name: 2-[(3R)-2,5-bis(oxidanylidene)-1-propan-2-yl-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(3R)-1-isopropyl-2,5-dioxo-pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(3R)-2,5-dioxo-1-propan-2-yl-3-pyrrolidinyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(3R)-1-isopropyl-2,5-diketo-pyrrolidin-3-yl]thio]nicotinate Formula: C13H13N2O4S- MolecularWeight: 293.31832

Click to see the large picture

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)/p-1/t9-/m1/s1