methyl 3-[2-(4-chlorophenyl)sulfonylethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-chlorophenyl)sulfonylethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-(4-chlorophenyl)sulfonyl-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C20H16ClNO5S2 MolecularWeight: 449.92774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClNO5S2/c1-27-20(24)19-16(11-17(28-19)13-5-3-2-4-6-13)22-18(23)12-29(25,26)15-9-7-14(21)8-10-15/h2-11H,12H2,1H3,(H,22,23)