2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]thio]nicotinate Formula: C12H15N2O3S- MolecularWeight: 267.3241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=C(C=CC=N1)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)CSC1=C(C=CC=N1)C(=O)[O-]

InChI

InChI=1S/C12H16N2O3S/c1-3-8(2)14-10(15)7-18-11-9(12(16)17)5-4-6-13-11/h4-6,8H,3,7H2,1-2H3,(H,14,15)(H,16,17)/p-1/t8-/m0/s1