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

Systemtic Name: S-[2-(1,3-benzoxazol-2-yl)-2,5-dimethyl-hex-4-en-3-yl] 2-methylpropanethioate Openeye Name: S-[1-[1-(1,3-benzoxazol-2-yl)-1-methyl-ethyl]-3-methyl-but-2-enyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic 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] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[1-[1-(1,3-benzoxazol-2-yl)-1-methyl-ethyl]-3-methyl-but-2-enyl] ester Formula: C19H25NO2S MolecularWeight: 331.4723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO2S/c1-12(2)11-16(23-17(21)13(3)4)19(5,6)18-20-14-9-7-8-10-15(14)22-18/h7-11,13,16H,1-6H3