ethyl 4-(3-nitrophenyl)-2-[4-(4-propan-2-ylphenoxy)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-[4-(4-propan-2-ylphenoxy)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-isopropylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 4-(3-nitrophenyl)-2-[[1-oxo-4-(4-propan-2-ylphenoxy)butyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitrophenyl)-2-[4-(4-propan-2-ylphenoxy)butanoylamino]thiophene-3-carboxylate Traditional Name: 2-[4-(4-isopropylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CCCOC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CCCOC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C26H28N2O6S/c1-4-33-26(30)24-22(19-7-5-8-20(15-19)28(31)32)16-35-25(24)27-23(29)9-6-14-34-21-12-10-18(11-13-21)17(2)3/h5,7-8,10-13,15-17H,4,6,9,14H2,1-3H3,(H,27,29)