ethyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]benzothiophene-3-carboxylate CAS Name: 2-[[4-(4-methoxyphenyl)sulfonyl-1-oxobutyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]benzothiophene-3-carboxylic acid ethyl ester Formula: C22H23NO6S2 MolecularWeight: 461.55112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23NO6S2/c1-3-29-22(25)20-17-7-4-5-8-18(17)30-21(20)23-19(24)9-6-14-31(26,27)16-12-10-15(28-2)11-13-16/h4-5,7-8,10-13H,3,6,9,14H2,1-2H3,(H,23,24)