ethyl 2-[[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-1-oxoprop-2-enyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acryloyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C=CC2=CC(=C(C=C2)OCC#N)OC)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)/C=C/C2=CC(=C(C=C2)OCC#N)OC)C(=O)OCC

InChI

InChI=1S/C21H22N2O5S/c1-4-15-13-16(21(25)27-5-2)20(29-15)23-19(24)9-7-14-6-8-17(28-11-10-22)18(12-14)26-3/h6-9,12-13H,4-5,11H2,1-3H3,(H,23,24)/b9-7+