ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-phenylprop-2-enoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-phenylprop-2-enoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-phenylprop-2-enoylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-5-methyl-2-[(1-oxo-3-phenylprop-2-enyl)amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(3-phenylprop-2-enoylamino)thiophene-3-carboxylate Traditional Name: 2-cinnamamido-4-(3,4-dimethoxyphenyl)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)OC)OC)C)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)OC)OC)C)NC(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C25H25NO5S/c1-5-31-25(28)23-22(18-12-13-19(29-3)20(15-18)30-4)16(2)32-24(23)26-21(27)14-11-17-9-7-6-8-10-17/h6-15H,5H2,1-4H3,(H,26,27)