methyl 2-[4-(4-tert-butylphenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(4-tert-butylphenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-(4-tert-butylphenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-tert-butylphenoxy)butanoylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(4-tert-butylphenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C27H31NO4S/c1-18-23(19-10-7-6-8-11-19)24(26(30)31-5)25(33-18)28-22(29)12-9-17-32-21-15-13-20(14-16-21)27(2,3)4/h6-8,10-11,13-16H,9,12,17H2,1-5H3,(H,28,29)