ethyl 4-(3,4-dimethylphenyl)-2-[3-(2-ethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(2-ethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(2-ethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[3-(2-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-[3-(2-ethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[(3-o-phenetylacryloyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)OCC

InChI

InChI=1S/C26H27NO4S/c1-5-30-22-10-8-7-9-19(22)13-14-23(28)27-25-24(26(29)31-6-2)21(16-32-25)20-12-11-17(3)18(4)15-20/h7-16H,5-6H2,1-4H3,(H,27,28)