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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(4-pentoxyphenyl)prop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-pentoxyphenyl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(4-amoxyphenyl)-2-cyano-acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C27H26N2O4S/c1-3-4-8-15-33-22-13-11-19(12-14-22)16-21(17-28)25(30)29-26-24(27(31)32-2)23(18-34-26)20-9-6-5-7-10-20/h5-7,9-14,16,18H,3-4,8,15H2,1-2H3,(H,29,30)/b21-16+