methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]benzothiophene-3-carboxylate CAS Name: 2-[[4-(4-methoxyphenyl)sulfonyl-1-oxobutyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]benzothiophene-3-carboxylic acid methyl ester Formula: C21H21NO6S2 MolecularWeight: 447.52454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=C(C3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=C(C3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C21H21NO6S2/c1-27-14-9-11-15(12-10-14)30(25,26)13-5-8-18(23)22-20-19(21(24)28-2)16-6-3-4-7-17(16)29-20/h3-4,6-7,9-12H,5,8,13H2,1-2H3,(H,22,23)