ethyl 2-[4-(phenylsulfonyl)butanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(phenylsulfonyl)butanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[4-(benzenesulfonyl)butanoylamino]benzothiophene-3-carboxylate CAS Name: 2-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(benzenesulfonyl)butanoylamino]-1-benzothiophene-3-carboxylate Traditional Name: 2-(4-besylbutanoylamino)benzothiophene-3-carboxylic acid ethyl ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S2/c1-2-27-21(24)19-16-11-6-7-12-17(16)28-20(19)22-18(23)13-8-14-29(25,26)15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3,(H,22,23)