methyl 5-[2-[ethyl-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[ethyl-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-amino]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-[ethyl-(5-fluoro-2-methoxy-phenyl)sulfonyl-amino]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[ethyl-(5-fluoro-2-methoxy-phenyl)sulfonyl-amino]acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H21FN2O6S2 MolecularWeight: 480.529643

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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=C(C=CC(=C3)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O6S2/c1-4-24(32(27,28)19-11-14(22)5-7-16(19)29-2)12-20(25)23-15-6-8-17-13(9-15)10-18(31-17)21(26)30-3/h5-11H,4,12H2,1-3H3,(H,23,25)