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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[3-(phenylcarbonyloxy)phenyl]prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(3-benzoyloxyphenyl)-2-cyano-prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(3-benzoyloxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3-benzoyloxyphenyl)-2-cyanoprop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(3-benzoyloxyphenyl)-2-cyano-acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H16N2O5S MolecularWeight: 432.44854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C23H16N2O5S/c1-29-23(28)19-10-11-31-21(19)25-20(26)17(14-24)12-15-6-5-9-18(13-15)30-22(27)16-7-3-2-4-8-16/h2-13H,1H3,(H,25,26)/b17-12+