methyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-p-cumenyl-acryloyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C27H26N2O3S MolecularWeight: 458.57194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C(=CC3=CC=C(C=C3)C(C)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)/C(=C/C3=CC=C(C=C3)C(C)C)/C#N

InChI

InChI=1S/C27H26N2O3S/c1-5-18-6-12-21(13-7-18)23-16-33-26(24(23)27(31)32-4)29-25(30)22(15-28)14-19-8-10-20(11-9-19)17(2)3/h6-14,16-17H,5H2,1-4H3,(H,29,30)/b22-14+