methyl 4,5-dimethyl-2-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[4-(p-tolylsulfonyl)butanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[4-(4-methylphenyl)sulfonyl-1-oxobutyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[4-(4-methylphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(4-tosylbutanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C19H23NO5S2/c1-12-7-9-15(10-8-12)27(23,24)11-5-6-16(21)20-18-17(19(22)25-4)13(2)14(3)26-18/h7-10H,5-6,11H2,1-4H3,(H,20,21)