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

Systemtic Name: ethyl 2-[4-(3-methyl-4-propan-2-yl-phenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(3-methyl-4-propan-2-ylphenoxy)-1-oxobutyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(4-isopropyl-3-methyl-phenoxy)butanoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H30N2O6S MolecularWeight: 510.6019

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)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)C

InChI

InChI=1S/C27H30N2O6S/c1-5-34-27(31)25-23(19-8-6-9-20(15-19)29(32)33)16-36-26(25)28-24(30)10-7-13-35-21-11-12-22(17(2)3)18(4)14-21/h6,8-9,11-12,14-17H,5,7,10,13H2,1-4H3,(H,28,30)