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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCCCC(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCC1=CC=C(C=C1)OCCCC(=O)NC2=C(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

InChI

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