methyl 2-[[(E)-2-cyano-3-[2-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[2-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(2-isobutoxyphenyl)prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[2-(2-methylpropoxy)phenyl]-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-[2-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(2-isobutoxyphenyl)acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC

Isomeric SMILES

CC(C)COC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C(C)C)C(=O)OC

InChI

InChI=1S/C23H26N2O4S/c1-14(2)13-29-19-9-7-6-8-16(19)10-17(12-24)21(26)25-22-18(23(27)28-5)11-20(30-22)15(3)4/h6-11,14-15H,13H2,1-5H3,(H,25,26)/b17-10+