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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(2-pentoxyphenyl)prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(2-pentoxyphenyl)prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(2-pentoxyphenyl)prop-2-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(2-pentoxyphenyl)prop-2-enoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(2-amoxyphenyl)-2-cyano-acryloyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

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