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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(3-methoxy-4-pentoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-4-5-6-10-29-18-8-7-15(13-19(18)27-2)12-16(14-23)20(25)24-21-17(9-11-30-21)22(26)28-3/h7-9,11-13H,4-6,10H2,1-3H3,(H,24,25)/b16-12+