diethyl 5-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[(E)-2-cyano-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(E)-2-cyano-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C28H34N2O7S MolecularWeight: 542.64376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)OC

InChI

InChI=1S/C28H34N2O7S/c1-6-9-10-11-14-37-21-13-12-19(16-22(21)34-5)15-20(17-29)25(31)30-26-23(27(32)35-7-2)18(4)24(38-26)28(33)36-8-3/h12-13,15-16H,6-11,14H2,1-5H3,(H,30,31)/b20-15+