3-chloranyl-2-oxidanyl-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-chloranyl-2-oxidanyl-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-chloro-2-hydroxy-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-chloro-2-hydroxy-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 3-chloro-2-hydroxy-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-chloro-2-hydroxy-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C13H8ClNO2S MolecularWeight: 277.72612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC3=CC(=C(C=C3S2)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC3=CC(=C(C=C3S2)O)Cl

InChI

InChI=1S/C13H8ClNO2S/c14-8-5-9-12(6-10(8)16)18-11-4-2-1-3-7(11)13(17)15-9/h1-6,16H,(H,15,17)