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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[4-methoxy-3-(phenoxymethyl)phenyl]-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[4-methoxy-3-(phenoxymethyl)phenyl]acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C24H20N2O5S MolecularWeight: 448.491

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C(=O)OC)COC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C(=O)OC)COC3=CC=CC=C3

InChI

InChI=1S/C24H20N2O5S/c1-29-21-9-8-16(13-18(21)15-31-19-6-4-3-5-7-19)12-17(14-25)22(27)26-23-20(10-11-32-23)24(28)30-2/h3-13H,15H2,1-2H3,(H,26,27)/b17-12+