methyl 5-[2-[(3-chloranyl-4-ethoxy-phenyl)sulfonyl-ethyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[(3-chloranyl-4-ethoxy-phenyl)sulfonyl-ethyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-ethyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-ethyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H23ClN2O6S2 MolecularWeight: 511.01082

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)OC)S(=O)(=O)C3=CC(=C(C=C3)OCC)Cl

Isomeric SMILES

CCN(CC(=O)NC1=CC2=C(C=C1)SC(=C2)C(=O)OC)S(=O)(=O)C3=CC(=C(C=C3)OCC)Cl

InChI

InChI=1S/C22H23ClN2O6S2/c1-4-25(33(28,29)16-7-8-18(31-5-2)17(23)12-16)13-21(26)24-15-6-9-19-14(10-15)11-20(32-19)22(27)30-3/h6-12H,4-5,13H2,1-3H3,(H,24,26)