diethyl 3-methyl-5-[4-(3-methylphenoxy)butanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[4-(3-methylphenoxy)butanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[4-(3-methylphenoxy)butanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[4-(3-methylphenoxy)-1-oxobutyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[4-(3-methylphenoxy)butanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[4-(3-methylphenoxy)butanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCOC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCOC2=CC=CC(=C2)C

InChI

InChI=1S/C22H27NO6S/c1-5-27-21(25)18-15(4)19(22(26)28-6-2)30-20(18)23-17(24)11-8-12-29-16-10-7-9-14(3)13-16/h7,9-10,13H,5-6,8,11-12H2,1-4H3,(H,23,24)