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

Systemtic Name: methyl 3-[3-(4-methylphenyl)sulfonylpropanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[3-(p-tolylsulfonyl)propanoylamino]benzothiophene-2-carboxylate CAS Name: 3-[[3-(4-methylphenyl)sulfonyl-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-methylphenyl)sulfonylpropanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-(3-tosylpropanoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C20H19NO5S2 MolecularWeight: 417.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(SC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=C(SC3=CC=CC=C32)C(=O)OC

InChI

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