methyl 5-[2-[(4-ethoxyphenyl)sulfonyl-ethyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[(4-ethoxyphenyl)sulfonyl-ethyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(4-ethoxyphenyl)sulfonyl-ethyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[ethyl(p-phenetylsulfonyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O6S2/c1-4-24(32(27,28)18-9-7-17(8-10-18)30-5-2)14-21(25)23-16-6-11-19-15(12-16)13-20(31-19)22(26)29-3/h6-13H,4-5,14H2,1-3H3,(H,23,25)