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

Systemtic Name: diethyl 5-[4-(2,3-dimethylphenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(2,3-dimethylphenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-(2,3-dimethylphenoxy)-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(2,3-dimethylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(2,3-dimethylphenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCOC2=CC=CC(=C2C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCOC2=CC=CC(=C2C)C

InChI

InChI=1S/C23H29NO6S/c1-6-28-22(26)19-16(5)20(23(27)29-7-2)31-21(19)24-18(25)12-9-13-30-17-11-8-10-14(3)15(17)4/h8,10-11H,6-7,9,12-13H2,1-5H3,(H,24,25)