N-[2-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[(4-fluorobenzothiophene-2-carbonyl)amino]ethyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]ethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]ethyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[(4-fluorobenzothiophene-2-carbonyl)amino]ethyl]-1-methyl-pyrrole-2-carboxamide Formula: C17H16FN3O2S MolecularWeight: 345.391243

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NCCNC(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

CN1C=CC=C1C(=O)NCCNC(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C17H16FN3O2S/c1-21-9-3-5-13(21)16(22)19-7-8-20-17(23)15-10-11-12(18)4-2-6-14(11)24-15/h2-6,9-10H,7-8H2,1H3,(H,19,22)(H,20,23)