O4-ethyl O2-propan-2-yl 5-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-propan-2-yl 5-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 5-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(E)-3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-propan-2-yl ester IUPAC Name: 4-O-ethyl 2-O-propan-2-yl 5-[[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(E)-3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C26H30N2O6S MolecularWeight: 498.5912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=C(S2)C(=O)OC(C)C)C)C(=O)OCC

InChI

InChI=1S/C26H30N2O6S/c1-6-8-13-33-20-11-9-18(10-12-20)14-19(15-27)23(29)28-24-21(25(30)32-7-2)17(5)22(35-24)26(31)34-16(3)4/h9-12,14,16H,6-8,13H2,1-5H3,(H,28,29)/b19-14+