S-[2-(1,3-benzoxazol-2-yl)-2,3-dimethyl-but-3-enyl] 2-methylpropanethioate

Systemtic Name: S-[2-(1,3-benzoxazol-2-yl)-2,3-dimethyl-but-3-enyl] 2-methylpropanethioate Openeye Name: S-[2-(1,3-benzoxazol-2-yl)-2,3-dimethyl-but-3-enyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2,3-dimethylbut-3-enyl] ester IUPAC Name: S-[2-(1,3-benzoxazol-2-yl)-2,3-dimethylbut-3-enyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[2-(1,3-benzoxazol-2-yl)-2,3-dimethyl-but-3-enyl] ester Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO2S/c1-11(2)15(19)21-10-17(5,12(3)4)16-18-13-8-6-7-9-14(13)20-16/h6-9,11H,3,10H2,1-2,4-5H3