1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(3,5-dimethylisoxazol-4-yl)methylthio]ethanone Formula: C17H20N2O2S2 MolecularWeight: 348.4829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C17H20N2O2S2/c1-12-14(13(2)21-18-12)10-22-11-17(20)19-8-5-9-23-16-7-4-3-6-15(16)19/h3-4,6-7H,5,8-11H2,1-2H3