diethyl 5-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[(E)-3-p-phenetylacryloyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C22H25NO6S/c1-5-27-16-11-8-15(9-12-16)10-13-17(24)23-20-18(21(25)28-6-2)14(4)19(30-20)22(26)29-7-3/h8-13H,5-7H2,1-4H3,(H,23,24)/b13-10+