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

Systemtic Name: methyl 2-[4-(phenylsulfonyl)butanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-(benzenesulfonyl)butanoylamino]benzothiophene-3-carboxylate CAS Name: 2-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(benzenesulfonyl)butanoylamino]-1-benzothiophene-3-carboxylate Traditional Name: 2-(4-besylbutanoylamino)benzothiophene-3-carboxylic acid methyl ester Formula: C20H19NO5S2 MolecularWeight: 417.49856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5S2/c1-26-20(23)18-15-10-5-6-11-16(15)27-19(18)21-17(22)12-7-13-28(24,25)14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H,21,22)