2-[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]ethanethiol

Systemtic Name: 2-[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]ethanethiol Openeye Name: 2-(4-isobutoxy-1,2-benzoxazol-3-yl)ethanethiol CAS Name: 2-[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]ethanethiol IUPAC Name: 2-[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]ethanethiol Traditional Name: 2-(4-isobutoxyindoxazen-3-yl)ethanethiol Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC2=C1C(=NO2)CCS

Isomeric SMILES

CC(C)COC1=CC=CC2=C1C(=NO2)CCS

InChI

InChI=1S/C13H17NO2S/c1-9(2)8-15-11-4-3-5-12-13(11)10(6-7-17)14-16-12/h3-5,9,17H,6-8H2,1-2H3