methyl 2-[2-(4-chlorophenyl)sulfonylethanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-chlorophenyl)sulfonylethanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[2-(4-chlorophenyl)sulfonyl-1-oxoethyl]amino]-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]benzothiophene-3-carboxylic acid methyl ester Formula: C18H14ClNO5S2 MolecularWeight: 423.89046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClNO5S2/c1-25-18(22)16-13-4-2-3-5-14(13)26-17(16)20-15(21)10-27(23,24)12-8-6-11(19)7-9-12/h2-9H,10H2,1H3,(H,20,21)