3-bromanyl-2-phenyl-5H-1,5-benzothiazepin-4-one hydrate

Systemtic Name: 3-bromanyl-2-phenyl-5H-1,5-benzothiazepin-4-one hydrate Openeye Name: 3-bromo-2-phenyl-5H-1,5-benzothiazepin-4-one hydrate CAS Name: 3-bromo-2-phenyl-5H-1,5-benzothiazepin-4-one hydrate IUPAC Name: 3-bromo-2-phenyl-5H-1,5-benzothiazepin-4-one hydrate Traditional Name: 3-bromo-2-phenyl-5H-1,5-benzothiazepin-4-one hydrate Formula: C15H12BrNO2S MolecularWeight: 350.23028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NC3=CC=CC=C3S2)Br.O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC3=CC=CC=C3S2)Br.O

InChI

InChI=1S/C15H10BrNOS.H2O/c16-13-14(10-6-2-1-3-7-10)19-12-9-5-4-8-11(12)17-15(13)18;/h1-9H,(H,17,18);1H2