methyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-ethoxy-4-hydroxy-phenyl)acryloyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C(=CC2=CC(=C(C=C2)O)OCC)C#N)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)/C(=C/C2=CC(=C(C=C2)O)OCC)/C#N)C(=O)OC

InChI

InChI=1S/C21H22N2O5S/c1-4-6-15-11-16(21(26)27-3)20(29-15)23-19(25)14(12-22)9-13-7-8-17(24)18(10-13)28-5-2/h7-11,24H,4-6H2,1-3H3,(H,23,25)/b14-9+