N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]hex-5-ynamide

Systemtic Name: N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]hex-5-ynamide Openeye Name: N-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]hex-5-ynamide CAS Name: N-[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1,3-benzothiazol-6-yl]-5-hexynamide IUPAC Name: N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]hex-5-ynamide Traditional Name: N-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]-1,3-benzothiazol-6-yl]hex-5-ynamide Formula: C19H19N3O2S2 MolecularWeight: 385.50306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCCC#C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCCC#C

InChI

InChI=1S/C19H19N3O2S2/c1-4-5-6-7-18(23)20-14-8-9-16-17(10-14)26-19(21-16)25-11-15-12(2)22-24-13(15)3/h1,8-10H,5-7,11H2,2-3H3,(H,20,23)