ethyl 5-[3-(phenylsulfonyl)propanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[3-(phenylsulfonyl)propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[3-(benzenesulfonyl)propanoylamino]benzothiophene-2-carboxylate CAS Name: 5-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(benzenesulfonyl)propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-(3-besylpropanoylamino)benzothiophene-2-carboxylic acid ethyl ester Formula: C20H19NO5S2 MolecularWeight: 417.49856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO5S2/c1-2-26-20(23)18-13-14-12-15(8-9-17(14)27-18)21-19(22)10-11-28(24,25)16-6-4-3-5-7-16/h3-9,12-13H,2,10-11H2,1H3,(H,21,22)