4-(5-bromanylpentyl)-1,4-benzothiazepine-3,5-dione

Systemtic Name: 4-(5-bromanylpentyl)-1,4-benzothiazepine-3,5-dione Openeye Name: 4-(5-bromopentyl)-1,4-benzothiazepine-3,5-dione CAS Name: 4-(5-bromopentyl)-1,4-benzothiazepine-3,5-dione IUPAC Name: 4-(5-bromopentyl)-1,4-benzothiazepine-3,5-dione Traditional Name: 4-(5-bromopentyl)-1,4-benzothiazepine-3,5-quinone Formula: C14H16BrNO2S MolecularWeight: 342.25134

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C(=O)C2=CC=CC=C2S1)CCCCCBr

Isomeric SMILES

C1C(=O)N(C(=O)C2=CC=CC=C2S1)CCCCCBr

InChI

InChI=1S/C14H16BrNO2S/c15-8-4-1-5-9-16-13(17)10-19-12-7-3-2-6-11(12)14(16)18/h2-3,6-7H,1,4-5,8-10H2