3-iodanyl-5-methyl-2-phenyl-7-(trifluoromethyl)-1,5-benzothiazepin-4-one

Systemtic Name: 3-iodanyl-5-methyl-2-phenyl-7-(trifluoromethyl)-1,5-benzothiazepin-4-one Openeye Name: 3-iodo-5-methyl-2-phenyl-7-(trifluoromethyl)-1,5-benzothiazepin-4-one CAS Name: 3-iodo-5-methyl-2-phenyl-7-(trifluoromethyl)-1,5-benzothiazepin-4-one IUPAC Name: 3-iodo-5-methyl-2-phenyl-7-(trifluoromethyl)-1,5-benzothiazepin-4-one Traditional Name: 3-iodo-5-methyl-2-phenyl-7-(trifluoromethyl)-1,5-benzothiazepin-4-one Formula: C17H11F3INOS MolecularWeight: 461.24002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(F)(F)F)SC(=C(C1=O)I)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(F)(F)F)SC(=C(C1=O)I)C3=CC=CC=C3

InChI

InChI=1S/C17H11F3INOS/c1-22-12-9-11(17(18,19)20)7-8-13(12)24-15(14(21)16(22)23)10-5-3-2-4-6-10/h2-9H,1H3