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

Systemtic Name: ethyl 2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-[4-(1,1-dimethylpropyl)phenoxy]butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[4-[4-(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(4-tert-amylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C28H32N2O6S MolecularWeight: 524.62848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C28H32N2O6S/c1-5-28(3,4)20-12-14-22(15-13-20)36-16-8-11-24(31)29-26-25(27(32)35-6-2)23(18-37-26)19-9-7-10-21(17-19)30(33)34/h7,9-10,12-15,17-18H,5-6,8,11,16H2,1-4H3,(H,29,31)