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

Systemtic Name: 2-[1-butyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-(1-butyl-2,5-dioxo-pyrrolidin-3-yl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(1-butyl-2,5-dioxo-3-pyrrolidinyl)thio]-3-pyridinecarboxylate IUPAC Name: 2-(1-butyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(1-butyl-2,5-diketo-pyrrolidin-3-yl)thio]nicotinate Formula: C14H15N2O4S- MolecularWeight: 307.3449

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)CC(C1=O)SC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CCCCN1C(=O)CC(C1=O)SC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C14H16N2O4S/c1-2-3-7-16-11(17)8-10(13(16)18)21-12-9(14(19)20)5-4-6-15-12/h4-6,10H,2-3,7-8H2,1H3,(H,19,20)/p-1