diethyl 4-[4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl]sulfanylbenzene-1,2-dicarboxylate

Systemtic Name: diethyl 4-[4-(2-methyl-2-morpholin-4-yl-propanoyl)phenyl]sulfanylbenzene-1,2-dicarboxylate Openeye Name: diethyl 4-[4-(2-methyl-2-morpholino-propanoyl)phenyl]sulfanylbenzene-1,2-dicarboxylate CAS Name: 4-[[4-[2-methyl-2-(4-morpholinyl)-1-oxopropyl]phenyl]thio]benzene-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl]sulfanylbenzene-1,2-dicarboxylate Traditional Name: 4-[[4-(2-methyl-2-morpholino-propanoyl)phenyl]thio]benzene-1,2-dicarboxylic acid diethyl ester Formula: C26H31NO6S MolecularWeight: 485.59244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)SC2=CC=C(C=C2)C(=O)C(C)(C)N3CCOCC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)SC2=CC=C(C=C2)C(=O)C(C)(C)N3CCOCC3)C(=O)OCC

InChI

InChI=1S/C26H31NO6S/c1-5-32-24(29)21-12-11-20(17-22(21)25(30)33-6-2)34-19-9-7-18(8-10-19)23(28)26(3,4)27-13-15-31-16-14-27/h7-12,17H,5-6,13-16H2,1-4H3