methyl (1S,4R)-4-isothiocyanatocyclohex-2-ene-1-carboxylate

Systemtic Name: methyl (1S,4R)-4-isothiocyanatocyclohex-2-ene-1-carboxylate Openeye Name: methyl (1S,4R)-4-isothiocyanatocyclohex-2-ene-1-carboxylate CAS Name: (1S,4R)-4-isothiocyanato-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,4R)-4-isothiocyanatocyclohex-2-ene-1-carboxylate Traditional Name: (1S,4R)-4-isothiocyanatocyclohex-2-ene-1-carboxylic acid methyl ester Formula: C9H11NO2S MolecularWeight: 197.25414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(C=C1)N=C=S

Isomeric SMILES

COC(=O)[C@H]1CC[C@H](C=C1)N=C=S

InChI

InChI=1S/C9H11NO2S/c1-12-9(11)7-2-4-8(5-3-7)10-6-13/h2,4,7-8H,3,5H2,1H3/t7-,8+/m1/s1