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

Systemtic Name: methyl 2-[3-(phenylsulfonyl)propanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(benzenesulfonyl)propanoylamino]benzothiophene-3-carboxylate CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(benzenesulfonyl)propanoylamino]-1-benzothiophene-3-carboxylate Traditional Name: 2-(3-besylpropanoylamino)benzothiophene-3-carboxylic acid methyl ester Formula: C19H17NO5S2 MolecularWeight: 403.47198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO5S2/c1-25-19(22)17-14-9-5-6-10-15(14)26-18(17)20-16(21)11-12-27(23,24)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21)