3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-iodanylphenyl)methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-iodanylphenyl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-iodophenyl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-iodophenyl)methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-iodophenyl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-iodophenyl)methanone Formula: C16H14INOS MolecularWeight: 395.25793

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C16H14INOS/c17-13-6-3-5-12(11-13)16(19)18-9-4-10-20-15-8-2-1-7-14(15)18/h1-3,5-8,11H,4,9-10H2