ethyl 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(4-hexoxyphenyl)acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O4S/c1-5-7-8-9-14-32-21-12-10-19(11-13-21)15-20(17-27)24(29)28-25-22(26(30)31-6-2)16-23(33-25)18(3)4/h10-13,15-16,18H,5-9,14H2,1-4H3,(H,28,29)/b20-15+