diethyl 3-methyl-5-[3-(4-nitrophenyl)prop-2-enoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[3-(4-nitrophenyl)prop-2-enoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[3-(4-nitrophenyl)prop-2-enoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[3-(4-nitrophenyl)prop-2-enoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[3-(4-nitrophenyl)acryloyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7S/c1-4-28-19(24)16-12(3)17(20(25)29-5-2)30-18(16)21-15(23)11-8-13-6-9-14(10-7-13)22(26)27/h6-11H,4-5H2,1-3H3,(H,21,23)