methyl 5-[2-[4-[ethyl(methylsulfonyl)amino]phenoxy]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[4-[ethyl(methylsulfonyl)amino]phenoxy]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[4-[ethyl(methylsulfonyl)amino]phenoxy]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[4-[ethyl(methylsulfonyl)amino]phenoxy]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[4-[ethyl(mesyl)amino]phenoxy]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C21H22N2O6S2/c1-4-23(31(3,26)27)16-6-8-17(9-7-16)29-13-20(24)22-15-5-10-18-14(11-15)12-19(30-18)21(25)28-2/h5-12H,4,13H2,1-3H3,(H,22,24)