2-chloranyl-8-(trifluoromethyl)-6H-pyrimido[4,5-b][1,5]benzothiazepin-5-one

Systemtic Name: 2-chloranyl-8-(trifluoromethyl)-6H-pyrimido[4,5-b][1,5]benzothiazepin-5-one Openeye Name: 2-chloro-8-(trifluoromethyl)-6H-pyrimido[4,5-b][1,5]benzothiazepin-5-one CAS Name: 2-chloro-8-(trifluoromethyl)-6H-pyrimido[4,5-b][1,5]benzothiazepin-5-one IUPAC Name: 2-chloro-8-(trifluoromethyl)-6H-pyrimido[4,5-b][1,5]benzothiazepin-5-one Traditional Name: 2-chloro-8-(trifluoromethyl)-6H-pyrimido[4,5-b][1,5]benzothiazepin-5-one Formula: C12H5ClF3N3OS MolecularWeight: 331.70081

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)NC(=O)C3=CN=C(N=C3S2)Cl

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)NC(=O)C3=CN=C(N=C3S2)Cl

InChI

InChI=1S/C12H5ClF3N3OS/c13-11-17-4-6-9(20)18-7-3-5(12(14,15)16)1-2-8(7)21-10(6)19-11/h1-4H,(H,18,20)