2-[2-oxidanylidene-2-(propylamino)ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-oxidanylidene-2-(propylamino)ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-oxo-2-(propylamino)ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-oxo-2-(propylamino)ethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-oxo-2-(propylamino)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-(propylamino)ethyl]thio]nicotinate Formula: C11H13N2O3S- MolecularWeight: 253.29752

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=C(C=CC=N1)C(=O)[O-]

Isomeric SMILES

CCCNC(=O)CSC1=C(C=CC=N1)C(=O)[O-]

InChI

InChI=1S/C11H14N2O3S/c1-2-5-12-9(14)7-17-10-8(11(15)16)4-3-6-13-10/h3-4,6H,2,5,7H2,1H3,(H,12,14)(H,15,16)/p-1