(4-bromanyl-2-fluoranyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (4-bromo-2-fluoro-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: (4-bromo-2-fluorophenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (4-bromo-2-fluorophenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (4-bromo-2-fluoro-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C17H15BrFNOS MolecularWeight: 380.274503

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H15BrFNOS/c1-11-8-9-20(15-4-2-3-5-16(15)22-11)17(21)13-7-6-12(18)10-14(13)19/h2-7,10-11H,8-9H2,1H3