2-[(5-ethoxycarbonyl-2,6-dimethyl-pyridin-3-yl)carbamoylsulfanyl]ethanoate

Systemtic Name: 2-[(5-ethoxycarbonyl-2,6-dimethyl-pyridin-3-yl)carbamoylsulfanyl]ethanoate Openeye Name: 2-[(5-ethoxycarbonyl-2,6-dimethyl-3-pyridyl)carbamoylsulfanyl]acetate CAS Name: 2-[[[(5-ethoxycarbonyl-2,6-dimethyl-3-pyridinyl)amino]-oxomethyl]thio]acetate IUPAC Name: 2-[(5-ethoxycarbonyl-2,6-dimethylpyridin-3-yl)carbamoylsulfanyl]acetate Traditional Name: 2-[(5-carbethoxy-2,6-dimethyl-3-pyridyl)carbamoylthio]acetate Formula: C13H15N2O5S- MolecularWeight: 311.3336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)SCC(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(N=C1C)C)NC(=O)SCC(=O)[O-]

InChI

InChI=1S/C13H16N2O5S/c1-4-20-12(18)9-5-10(8(3)14-7(9)2)15-13(19)21-6-11(16)17/h5H,4,6H2,1-3H3,(H,15,19)(H,16,17)/p-1