O-[1-(4-oxidanylcyclohept-2-en-1-yl)-3-phenyl-propyl] pyrrolidine-1-carbothioate

Systemtic Name: O-[1-(4-oxidanylcyclohept-2-en-1-yl)-3-phenyl-propyl] pyrrolidine-1-carbothioate Openeye Name: O-[1-(4-hydroxycyclohept-2-en-1-yl)-3-phenyl-propyl] pyrrolidine-1-carbothioate CAS Name: 1-pyrrolidinecarbothioic acid O-[1-(4-hydroxy-1-cyclohept-2-enyl)-3-phenylpropyl] ester IUPAC Name: O-[1-(4-hydroxycyclohept-2-en-1-yl)-3-phenylpropyl] pyrrolidine-1-carbothioate Traditional Name: pyrrolidine-1-carbothioic acid O-[1-(4-hydroxycyclohept-2-en-1-yl)-3-phenyl-propyl] ester Formula: C21H29NO2S MolecularWeight: 359.52546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)OC(CCC2=CC=CC=C2)C3CCCC(C=C3)O

Isomeric SMILES

C1CCN(C1)C(=S)OC(CCC2=CC=CC=C2)C3CCCC(C=C3)O

InChI

InChI=1S/C21H29NO2S/c23-19-10-6-9-18(12-13-19)20(14-11-17-7-2-1-3-8-17)24-21(25)22-15-4-5-16-22/h1-3,7-8,12-13,18-20,23H,4-6,9-11,14-16H2