[[(2S)-1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino] pyridine-3-carboxylate

Systemtic Name: [[(2S)-1-ethoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino] pyridine-3-carboxylate Openeye Name: [[(1S)-1-ethoxycarbonyl-3-methylsulfanyl-propyl]amino] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [[(2S)-1-ethoxy-4-(methylthio)-1-oxobutan-2-yl]amino] ester IUPAC Name: [[(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino] pyridine-3-carboxylate Traditional Name: nicotinic acid [[(1S)-1-carbethoxy-3-(methylthio)propyl]amino] ester Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NOC(=O)C1=CN=CC=C1

Isomeric SMILES

CCOC(=O)[C@H](CCSC)NOC(=O)C1=CN=CC=C1

InChI

InChI=1S/C13H18N2O4S/c1-3-18-13(17)11(6-8-20-2)15-19-12(16)10-5-4-7-14-9-10/h4-5,7,9,11,15H,3,6,8H2,1-2H3/t11-/m0/s1