O-(2-methyl-4-oxidanylidene-1-phenyl-hexyl) pyrrolidine-1-carbothioate

Systemtic Name: O-(2-methyl-4-oxidanylidene-1-phenyl-hexyl) pyrrolidine-1-carbothioate Openeye Name: O-(2-methyl-4-oxo-1-phenyl-hexyl) pyrrolidine-1-carbothioate CAS Name: 1-pyrrolidinecarbothioic acid O-(2-methyl-4-oxo-1-phenylhexyl) ester IUPAC Name: O-(2-methyl-4-oxo-1-phenylhexyl) pyrrolidine-1-carbothioate Traditional Name: pyrrolidine-1-carbothioic acid O-(4-keto-2-methyl-1-phenyl-hexyl) ester Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO2S/c1-3-16(20)13-14(2)17(15-9-5-4-6-10-15)21-18(22)19-11-7-8-12-19/h4-6,9-10,14,17H,3,7-8,11-13H2,1-2H3