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

Systemtic Name: ethyl 5-methyl-2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-[4-(1,1-dimethylpropyl)phenoxy]butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[4-[4-(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(4-tert-amylphenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H35NO4S MolecularWeight: 493.6575

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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)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C29H35NO4S/c1-6-29(4,5)22-15-17-23(18-16-22)34-19-11-14-24(31)30-27-26(28(32)33-7-2)25(20(3)35-27)21-12-9-8-10-13-21/h8-10,12-13,15-18H,6-7,11,14,19H2,1-5H3,(H,30,31)