ethyl 4-(4-butan-2-ylphenyl)-2-(cyclobutylcarbonylamino)-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-butan-2-ylphenyl)-2-(cyclobutylcarbonylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(cyclobutanecarbonylamino)-5-methyl-4-(4-sec-butylphenyl)thiophene-3-carboxylate CAS Name: 4-(4-butan-2-ylphenyl)-2-[[cyclobutyl(oxo)methyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butan-2-ylphenyl)-2-(cyclobutanecarbonylamino)-5-methylthiophene-3-carboxylate Traditional Name: 2-(cyclobutanecarbonylamino)-5-methyl-4-(4-sec-butylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3CCC3)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3CCC3)C

InChI

InChI=1S/C23H29NO3S/c1-5-14(3)16-10-12-17(13-11-16)19-15(4)28-22(20(19)23(26)27-6-2)24-21(25)18-8-7-9-18/h10-14,18H,5-9H2,1-4H3,(H,24,25)