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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(=O)N2CCCC2C(=O)SCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)C(=O)N2CCC[C@H]2C(=O)SCCC3=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(25)26-15-13-16-8-3-1-4-9-16/h1,3-4,8-9,17-18H,2,5-7,10-15H2/t18-/m0/s1