O-[(E)-1-(3-oxidanylidenecyclohexyl)pent-2-enyl] pyrrolidine-1-carbothioate

Systemtic Name: O-[(E)-1-(3-oxidanylidenecyclohexyl)pent-2-enyl] pyrrolidine-1-carbothioate Openeye Name: O-[(E)-1-(3-oxocyclohexyl)pent-2-enyl] pyrrolidine-1-carbothioate CAS Name: 1-pyrrolidinecarbothioic acid O-[(E)-1-(3-oxocyclohexyl)pent-2-enyl] ester IUPAC Name: O-[(E)-1-(3-oxocyclohexyl)pent-2-enyl] pyrrolidine-1-carbothioate Traditional Name: pyrrolidine-1-carbothioic acid O-[(E)-1-(3-ketocyclohexyl)pent-2-enyl] ester Formula: C16H25NO2S MolecularWeight: 295.4402

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(C1CCCC(=O)C1)OC(=S)N2CCCC2

Isomeric SMILES

CC/C=C/C(C1CCCC(=O)C1)OC(=S)N2CCCC2

InChI

InChI=1S/C16H25NO2S/c1-2-3-9-15(13-7-6-8-14(18)12-13)19-16(20)17-10-4-5-11-17/h3,9,13,15H,2,4-8,10-12H2,1H3/b9-3+