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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(3-phenoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3-phenoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC(=CC=C2)OC3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)/C(=C/C2=CC(=CC=C2)OC3=CC=CC=C3)/C#N

InChI

InChI=1S/C22H16N2O4S/c1-27-22(26)19-10-11-29-21(19)24-20(25)16(14-23)12-15-6-5-9-18(13-15)28-17-7-3-2-4-8-17/h2-13H,1H3,(H,24,25)/b16-12+