9-(hydroxymethyl)-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 9-(hydroxymethyl)-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 9-(hydroxymethyl)-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 9-(hydroxymethyl)-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 9-(hydroxymethyl)-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 9-methylol-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C14H11NO2S MolecularWeight: 257.30764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C3=C(S2)C=C(C=C3)CO

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C3=C(S2)C=C(C=C3)CO

InChI

InChI=1S/C14H11NO2S/c16-8-9-5-6-10-13(7-9)18-12-4-2-1-3-11(12)15-14(10)17/h1-7,16H,8H2,(H,15,17)