ethyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(4-pentoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-amoxyphenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OCC

InChI

InChI=1S/C22H24N2O4S/c1-3-5-6-12-28-18-9-7-16(8-10-18)14-17(15-23)20(25)24-21-19(11-13-29-21)22(26)27-4-2/h7-11,13-14H,3-6,12H2,1-2H3,(H,24,25)/b17-14+