ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-tert-butylphenyl)-1-oxopropyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-tert-butylphenyl)propanoylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-(4-tert-butylphenyl)propanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31NO3S MolecularWeight: 449.60494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H31NO3S/c1-6-31-26(30)24-23(20-10-8-7-9-11-20)18(2)32-25(24)28-22(29)17-14-19-12-15-21(16-13-19)27(3,4)5/h7-13,15-16H,6,14,17H2,1-5H3,(H,28,29)