S-[2-(1,3-benzoxazol-2-yl)-2,5-dimethyl-hex-4-en-3-yl] ethanethioate

Systemtic Name: S-[2-(1,3-benzoxazol-2-yl)-2,5-dimethyl-hex-4-en-3-yl] ethanethioate Openeye Name: S-[1-[1-(1,3-benzoxazol-2-yl)-1-methyl-ethyl]-3-methyl-but-2-enyl] ethanethioate CAS Name: ethanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2,5-dimethylhex-4-en-3-yl] ester IUPAC Name: S-[2-(1,3-benzoxazol-2-yl)-2,5-dimethylhex-4-en-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[1-(1,3-benzoxazol-2-yl)-1-methyl-ethyl]-3-methyl-but-2-enyl] ester Formula: C17H21NO2S MolecularWeight: 303.41914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(C(C)(C)C1=NC2=CC=CC=C2O1)SC(=O)C)C

Isomeric SMILES

CC(=CC(C(C)(C)C1=NC2=CC=CC=C2O1)SC(=O)C)C

InChI

InChI=1S/C17H21NO2S/c1-11(2)10-15(21-12(3)19)17(4,5)16-18-13-8-6-7-9-14(13)20-16/h6-10,15H,1-5H3