2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-[(4,5-dimethyloxazol-2-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 2-[[(4,5-dimethyl-2-oxazolyl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-[[(4,5-dimethyloxazol-2-yl)thio]methyl]-4H-1,3,4-benzoxadiazepin-5-one Formula: C14H13N3O3S MolecularWeight: 303.33632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)SCC2=NNC(=O)C3=CC=CC=C3O2)C

Isomeric SMILES

CC1=C(OC(=N1)SCC2=NNC(=O)C3=CC=CC=C3O2)C

InChI

InChI=1S/C14H13N3O3S/c1-8-9(2)19-14(15-8)21-7-12-16-17-13(18)10-5-3-4-6-11(10)20-12/h3-6H,7H2,1-2H3,(H,17,18)