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

Systemtic Name: methyl 2-[3-(4-methoxyphenyl)sulfonylpropanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-methoxyphenyl)sulfonylpropanoylamino]benzothiophene-3-carboxylate CAS Name: 2-[[3-(4-methoxyphenyl)sulfonyl-1-oxopropyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-methoxyphenyl)sulfonylpropanoylamino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(4-methoxyphenyl)sulfonylpropanoylamino]benzothiophene-3-carboxylic acid methyl ester Formula: C20H19NO6S2 MolecularWeight: 433.49796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO6S2/c1-26-13-7-9-14(10-8-13)29(24,25)12-11-17(22)21-19-18(20(23)27-2)15-5-3-4-6-16(15)28-19/h3-10H,11-12H2,1-2H3,(H,21,22)