ethyl 4-(2-methylpropyl)-2-[2-(3-methylsulfonylphenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[2-(3-methylsulfonylphenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[[2-(3-methylsulfonylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[2-[(3-methylsulfonylphenyl)-oxomethoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[[2-(3-methylsulfonylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[2-(3-mesylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H25NO7S2 MolecularWeight: 467.5557

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C21H25NO7S2/c1-5-28-21(25)18-15(9-13(2)3)12-30-19(18)22-17(23)11-29-20(24)14-7-6-8-16(10-14)31(4,26)27/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,22,23)