ethyl 2-[3-(4-methylphenyl)sulfonylpropanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-methylphenyl)sulfonylpropanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(p-tolylsulfonyl)propanoylamino]benzothiophene-3-carboxylate CAS Name: 2-[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methylphenyl)sulfonylpropanoylamino]-1-benzothiophene-3-carboxylate Traditional Name: 2-(3-tosylpropanoylamino)benzothiophene-3-carboxylic acid ethyl ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S2/c1-3-27-21(24)19-16-6-4-5-7-17(16)28-20(19)22-18(23)12-13-29(25,26)15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,22,23)