N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3,5-dimethyl-isoxazole-4-carboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3,5-dimethyl-4-isoxazolecarboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-3,5-dimethyl-isoxazole-4-carboxamide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(ON=C3C)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C20H21N3O2S2/c1-4-5-6-7-8-11-26-20-22-16-10-9-15(12-17(16)27-20)21-19(24)18-13(2)23-25-14(18)3/h9-10,12H,4-5,8,11H2,1-3H3,(H,21,24)