dimethyl 5-azanyl-3-[(2-methylsulfanylpyridin-3-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(2-methylsulfanylpyridin-3-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[2-(methylthio)-3-pyridinyl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[2-(methylthio)nicotinoyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=C(N=CC=C2)SC)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=C(N=CC=C2)SC)C(=O)OC)N

InChI

InChI=1S/C16H16N2O6S2/c1-22-15(20)10-9(11(16(21)23-2)26-12(10)17)7-24-14(19)8-5-4-6-18-13(8)25-3/h4-6H,7,17H2,1-3H3