methyl 5-[2-[methylsulfonyl-(phenylmethyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[methylsulfonyl-(phenylmethyl)amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[benzyl(methylsulfonyl)amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[methylsulfonyl-(phenylmethyl)amino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[benzyl(methylsulfonyl)amino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[benzyl(mesyl)amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN(CC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O5S2/c1-27-20(24)18-11-15-10-16(8-9-17(15)28-18)21-19(23)13-22(29(2,25)26)12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,21,23)