ethyl 5-ethyl-2-[2-[(3-methylsulfonylphenyl)amino]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-[(3-methylsulfonylphenyl)amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(3-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-(3-methylsulfonylanilino)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(3-methylsulfonylanilino)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(3-mesylanilino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)C)C(=O)OCC

InChI

InChI=1S/C18H22N2O5S2/c1-4-13-10-15(18(22)25-5-2)17(26-13)20-16(21)11-19-12-7-6-8-14(9-12)27(3,23)24/h6-10,19H,4-5,11H2,1-3H3,(H,20,21)