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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-amoxy-3-methoxy-phenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S/c1-4-6-7-11-30-19-9-8-16(14-20(19)28-3)13-17(15-24)21(26)25-22-18(10-12-31-22)23(27)29-5-2/h8-10,12-14H,4-7,11H2,1-3H3,(H,25,26)/b17-13+