ethyl 2-[[2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-cyano-3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-(4-ethoxy-3-methoxy-phenyl)acryloyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O5S/c1-5-18-8-11-20(12-9-18)22-17-36-27(25(22)28(32)35-7-3)30-26(31)21(16-29)14-19-10-13-23(34-6-2)24(15-19)33-4/h8-15,17H,5-7H2,1-4H3,(H,30,31)