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

Systemtic Name: ethyl 2-[3-(4-butoxyphenyl)prop-2-enoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-butoxyphenyl)prop-2-enoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(4-butoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(3,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-butoxyphenyl)prop-2-enoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(4-butoxyphenyl)acryloyl]amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)OCC

InChI

InChI=1S/C28H31NO4S/c1-5-7-16-33-23-13-9-21(10-14-23)11-15-25(30)29-27-26(28(31)32-6-2)24(18-34-27)22-12-8-19(3)20(4)17-22/h8-15,17-18H,5-7,16H2,1-4H3,(H,29,30)