(5S)-2-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (5S)-2-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (5S)-2-[(4-bromo-2-fluoro-benzoyl)amino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (5S)-2-[[(4-bromo-2-fluorophenyl)-oxomethyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (5S)-2-[(4-bromo-2-fluorobenzoyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (5S)-2-[(4-bromo-2-fluoro-benzoyl)amino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H16BrFN2O2S MolecularWeight: 411.288543

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=C(C=C3)Br)F)C(=O)N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=C(C=C3)Br)F)C(=O)N

InChI

InChI=1S/C17H16BrFN2O2S/c1-8-2-5-13-11(6-8)14(15(20)22)17(24-13)21-16(23)10-4-3-9(18)7-12(10)19/h3-4,7-8H,2,5-6H2,1H3,(H2,20,22)(H,21,23)/t8-/m0/s1