methyl 5-[2-[methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[methyl-(2,4,6-trimethylphenyl)sulfonyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[mesitylsulfonyl(methyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C)CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)C

InChI

InChI=1S/C22H24N2O5S2/c1-13-8-14(2)21(15(3)9-13)31(27,28)24(4)12-20(25)23-17-6-7-18-16(10-17)11-19(30-18)22(26)29-5/h6-11H,12H2,1-5H3,(H,23,25)