ethyl 2-[2-(2,4-dinitrophenyl)ethanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2,4-dinitrophenyl)ethanoylamino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2,4-dinitrophenyl)acetyl]amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(2,4-dinitrophenyl)-1-oxoethyl]amino]-4-(4-ethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2,4-dinitrophenyl)acetyl]amino]-4-(4-ethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2,4-dinitrophenyl)acetyl]amino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H21N3O8S MolecularWeight: 499.49314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O8S/c1-3-33-17-9-6-14(7-10-17)18-13-35-22(21(18)23(28)34-4-2)24-20(27)11-15-5-8-16(25(29)30)12-19(15)26(31)32/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,27)