methyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(4-pentoxyphenyl)prop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-amoxyphenyl)-2-cyano-acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C23H26N2O4S/c1-5-6-7-12-29-19-10-8-17(9-11-19)13-18(14-24)21(26)25-22-20(23(27)28-4)15(2)16(3)30-22/h8-11,13H,5-7,12H2,1-4H3,(H,25,26)/b18-13+