ethyl 4,5-dimethyl-2-[3-(4-methylphenyl)sulfonylpropanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[3-(4-methylphenyl)sulfonylpropanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[3-(p-tolylsulfonyl)propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[3-(4-methylphenyl)sulfonylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(3-tosylpropanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H23NO5S2/c1-5-25-19(22)17-13(3)14(4)26-18(17)20-16(21)10-11-27(23,24)15-8-6-12(2)7-9-15/h6-9H,5,10-11H2,1-4H3,(H,20,21)