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

Systemtic Name: diethyl 5-azanyl-3-[(2-methylsulfanylpyridin-3-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2=C(N=CC=C2)SC)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2=C(N=CC=C2)SC)C(=O)OCC)N

InChI

InChI=1S/C18H20N2O6S2/c1-4-24-17(22)12-11(13(28-14(12)19)18(23)25-5-2)9-26-16(21)10-7-6-8-20-15(10)27-3/h6-8H,4-5,9,19H2,1-3H3