2-(2H-imidazol-2-yl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 2-(2H-imidazol-2-yl)-3-oxidanyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 3-hydroxy-2-(2H-imidazol-2-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 3-hydroxy-2-(2H-imidazol-2-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 3-hydroxy-2-(2H-imidazol-2-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 3-hydroxy-2-(2H-imidazol-2-yl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C(C(S2)C3N=CC=N3)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C(C(S2)C3N=CC=N3)O

InChI

InChI=1S/C12H11N3O2S/c16-9-10(11-13-5-6-14-11)18-8-4-2-1-3-7(8)15-12(9)17/h1-6,9-11,16H,(H,15,17)