ethyl 2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-[4-(1,1-dimethylpropyl)phenoxy]butanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-[4-(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(4-tert-amylphenoxy)butanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H33NO4S MolecularWeight: 479.63092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C28H33NO4S/c1-5-28(3,4)21-14-16-22(17-15-21)33-18-10-13-25(30)29-26-23(27(31)32-6-2)19-24(34-26)20-11-8-7-9-12-20/h7-9,11-12,14-17,19H,5-6,10,13,18H2,1-4H3,(H,29,30)