methyl 3-[2-(4-methylphenyl)sulfonylethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-methylphenyl)sulfonylethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 5-phenyl-3-[[2-(p-tolylsulfonyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-(4-methylphenyl)sulfonyl-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 5-phenyl-3-[(2-tosylacetyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C21H19NO5S2 MolecularWeight: 429.50926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H19NO5S2/c1-14-8-10-16(11-9-14)29(25,26)13-19(23)22-17-12-18(15-6-4-3-5-7-15)28-20(17)21(24)27-2/h3-12H,13H2,1-2H3,(H,22,23)