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

Systemtic Name: O4-ethyl O2-propan-2-yl 5-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-isopropyl 5-[[(E)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(E)-2-cyano-1-oxo-3-(4-propoxyphenyl)prop-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)-2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(E)-2-cyano-3-(4-propoxyphenyl)acryloyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-isopropyl ester Formula: C25H28N2O6S MolecularWeight: 484.56462

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C25H28N2O6S/c1-6-12-32-19-10-8-17(9-11-19)13-18(14-26)22(28)27-23-20(24(29)31-7-2)16(5)21(34-23)25(30)33-15(3)4/h8-11,13,15H,6-7,12H2,1-5H3,(H,27,28)/b18-13+