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

Systemtic Name: diethyl 5-[3-(3-chlorophenyl)prop-2-enoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(3-chlorophenyl)prop-2-enoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(3-chlorophenyl)-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(3-chlorophenyl)prop-2-enoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[3-(3-chlorophenyl)acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C=CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C=CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H20ClNO5S/c1-4-26-19(24)16-12(3)17(20(25)27-5-2)28-18(16)22-15(23)10-9-13-7-6-8-14(21)11-13/h6-11H,4-5H2,1-3H3,(H,22,23)