ethyl 5-nitro-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-nitro-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]-5-nitro-thiophene-3-carboxylate CAS Name: 5-nitro-2-[[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-nitro-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-isopropylsulfonylphenyl)acetyl]amino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C18H20N2O7S2 MolecularWeight: 440.4906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)CC2=CC=C(C=C2)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)CC2=CC=C(C=C2)S(=O)(=O)C(C)C

InChI

InChI=1S/C18H20N2O7S2/c1-4-27-18(22)14-10-16(20(23)24)28-17(14)19-15(21)9-12-5-7-13(8-6-12)29(25,26)11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,19,21)