methyl 2-[[(E)-2-cyano-3-cyclohex-3-en-1-yl-prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-cyclohex-3-en-1-yl-prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-cyclohex-3-en-1-yl-prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(1-cyclohex-3-enyl)-1-oxoprop-2-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-cyclohex-3-en-1-ylprop-2-enoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-cyclohex-3-en-1-yl-acryloyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(=CC3CCC=CC3)C#N

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)/C(=C/C3CCC=CC3)/C#N

InChI

InChI=1S/C22H20N2O3S/c1-27-22(26)18-13-19(16-10-6-3-7-11-16)28-21(18)24-20(25)17(14-23)12-15-8-4-2-5-9-15/h2-4,6-7,10-13,15H,5,8-9H2,1H3,(H,24,25)/b17-12+