diethyl 5-[4-(thiophen-3-ylcarbonylamino)butanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[4-(thiophen-3-ylcarbonylamino)butanoylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[4-(thiophene-3-carbonylamino)butanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-4-[[oxo(3-thiophenyl)methyl]amino]butyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(thiophene-3-carbonylamino)butanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[4-(3-thenoylamino)butanoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CCCNC(=O)C2=CSC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CCCNC(=O)C2=CSC=C2)C(=O)OCC

InChI

InChI=1S/C21H24N2O6S/c1-3-28-20(26)15-10-16(21(27)29-4-2)12-17(11-15)23-18(24)6-5-8-22-19(25)14-7-9-30-13-14/h7,9-13H,3-6,8H2,1-2H3,(H,22,25)(H,23,24)