O-phenethyl 1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)pyrrolidine-2-carbothioate

Systemtic Name: O-phenethyl 1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)pyrrolidine-2-carbothioate Openeye Name: O-phenethyl 1-(2-cyclohexyl-2-oxo-acetyl)pyrrolidine-2-carbothioate CAS Name: 1-(2-cyclohexyl-1,2-dioxoethyl)-2-pyrrolidinecarbothioic acid O-phenethyl ester IUPAC Name: O-phenethyl 1-(2-cyclohexyl-2-oxoacetyl)pyrrolidine-2-carbothioate Traditional Name: 1-(2-cyclohexyl-2-keto-acetyl)pyrrolidine-2-carbothioic acid O-phenethyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(=O)N2CCCC2C(=S)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)C(=O)N2CCCC2C(=S)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H27NO3S/c23-19(17-10-5-2-6-11-17)20(24)22-14-7-12-18(22)21(26)25-15-13-16-8-3-1-4-9-16/h1,3-4,8-9,17-18H,2,5-7,10-15H2