2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylpyridine-3-carboxylate

Systemtic Name: 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylpyridine-3-carboxylate Openeye Name: 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]nicotinate Formula: C12H13N2O3S- MolecularWeight: 265.30822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C12H14N2O3S/c15-10(14-6-1-2-7-14)8-18-11-9(12(16)17)4-3-5-13-11/h3-5H,1-2,6-8H2,(H,16,17)/p-1