ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(4-tert-butylphenyl)-1-oxopropyl]amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[3-(4-tert-butylphenyl)propanoylamino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H33NO4S MolecularWeight: 479.63092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H33NO4S/c1-6-32-22-15-11-20(12-16-22)23-18-34-26(25(23)27(31)33-7-2)29-24(30)17-10-19-8-13-21(14-9-19)28(3,4)5/h8-9,11-16,18H,6-7,10,17H2,1-5H3,(H,29,30)