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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)CC(C1=O)SC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CCCN1C(=O)C[C@@H](C1=O)SC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C13H14N2O4S/c1-2-6-15-10(16)7-9(12(15)17)20-11-8(13(18)19)4-3-5-14-11/h3-5,9H,2,6-7H2,1H3,(H,18,19)/p-1/t9-/m0/s1