diethyl 5-azanyl-3-[(6-morpholin-4-ylpyridin-3-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(6-morpholin-4-ylpyridin-3-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(6-morpholinopyridine-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[6-(4-morpholinyl)-3-pyridinyl]-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(6-morpholin-4-ylpyridine-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(6-morpholinonicotinoyl)oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CN=C(C=C2)N3CCOCC3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CN=C(C=C2)N3CCOCC3)C(=O)OCC)N

InChI

InChI=1S/C21H25N3O7S/c1-3-29-20(26)16-14(17(32-18(16)22)21(27)30-4-2)12-31-19(25)13-5-6-15(23-11-13)24-7-9-28-10-8-24/h5-6,11H,3-4,7-10,12,22H2,1-2H3