2-[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(2S)-1-(2-furanylmethylamino)-1-oxopropan-2-yl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(1S)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl]thio]nicotinate Formula: C14H13N2O4S- MolecularWeight: 305.32902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)SC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CO1)SC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C14H14N2O4S/c1-9(12(17)16-8-10-4-3-7-20-10)21-13-11(14(18)19)5-2-6-15-13/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19)/p-1/t9-/m0/s1