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

Systemtic Name: methyl 5-[2-[(4-fluorophenyl)methyl-methylsulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[(4-fluorophenyl)methyl-methylsulfonyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(4-fluorophenyl)methyl-methylsulfonylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(4-fluorophenyl)methyl-methylsulfonylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(4-fluorobenzyl)-mesyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H19FN2O5S2 MolecularWeight: 450.503663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN2O5S2/c1-28-20(25)18-10-14-9-16(7-8-17(14)29-18)22-19(24)12-23(30(2,26)27)11-13-3-5-15(21)6-4-13/h3-10H,11-12H2,1-2H3,(H,22,24)