methyl 5-[2-[ethyl(phenylsulfonyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[ethyl(phenylsulfonyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[benzenesulfonyl(ethyl)amino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[benzenesulfonyl(ethyl)amino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[besyl(ethyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S2/c1-3-22(29(25,26)16-7-5-4-6-8-16)13-19(23)21-15-9-10-17-14(11-15)12-18(28-17)20(24)27-2/h4-12H,3,13H2,1-2H3,(H,21,23)