2-(4-propoxy-1,2-benzoxazol-3-yl)ethanethiol

Systemtic Name: 2-(4-propoxy-1,2-benzoxazol-3-yl)ethanethiol Openeye Name: 2-(4-propoxy-1,2-benzoxazol-3-yl)ethanethiol CAS Name: 2-(4-propoxy-1,2-benzoxazol-3-yl)ethanethiol IUPAC Name: 2-(4-propoxy-1,2-benzoxazol-3-yl)ethanethiol Traditional Name: 2-(4-propoxyindoxazen-3-yl)ethanethiol Formula: C12H15NO2S MolecularWeight: 237.318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC2=C1C(=NO2)CCS

Isomeric SMILES

CCCOC1=CC=CC2=C1C(=NO2)CCS

InChI

InChI=1S/C12H15NO2S/c1-2-7-14-10-4-3-5-11-12(10)9(6-8-16)13-15-11/h3-5,16H,2,6-8H2,1H3