(2S,3R)-2-(4-isothiocyanato-4-methyl-cyclohexyl)-2-methyl-3-[(E)-3-methylbut-1-enyl]oxirane

Systemtic Name: (2S,3R)-2-(4-isothiocyanato-4-methyl-cyclohexyl)-2-methyl-3-[(E)-3-methylbut-1-enyl]oxirane Openeye Name: (2S,3R)-2-(4-isothiocyanato-4-methyl-cyclohexyl)-2-methyl-3-[(E)-3-methylbut-1-enyl]oxirane CAS Name: (2S,3R)-2-(4-isothiocyanato-4-methylcyclohexyl)-2-methyl-3-[(E)-3-methylbut-1-enyl]oxirane IUPAC Name: (2S,3R)-2-(4-isothiocyanato-4-methylcyclohexyl)-2-methyl-3-[(E)-3-methylbut-1-enyl]oxirane Traditional Name: (2S,3R)-2-(4-isothiocyanato-4-methyl-cyclohexyl)-2-methyl-3-[(E)-3-methylbut-1-enyl]oxirane Formula: C16H25NOS MolecularWeight: 279.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CC1C(O1)(C)C2CCC(CC2)(C)N=C=S

Isomeric SMILES

CC(C)/C=C/[C@@H]1[C@](O1)(C)C2CCC(CC2)(C)N=C=S

InChI

InChI=1S/C16H25NOS/c1-12(2)5-6-14-16(4,18-14)13-7-9-15(3,10-8-13)17-11-19/h5-6,12-14H,7-10H2,1-4H3/b6-5+/t13?,14-,15?,16+/m1/s1