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

Systemtic Name: S-phenethyl (2S)-1-(2-cyclopentyl-2-oxidanylidene-ethanoyl)pyrrolidine-2-carbothioate Openeye Name: S-phenethyl (2S)-1-(2-cyclopentyl-2-oxo-acetyl)pyrrolidine-2-carbothioate CAS Name: (2S)-1-(2-cyclopentyl-1,2-dioxoethyl)-2-pyrrolidinecarbothioic acid S-phenethyl ester IUPAC Name: S-phenethyl (2S)-1-(2-cyclopentyl-2-oxoacetyl)pyrrolidine-2-carbothioate Traditional Name: (2S)-1-(2-cyclopentyl-2-keto-acetyl)pyrrolidine-2-carbothioic acid S-phenethyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)C(=O)N2CCCC2C(=O)SCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)C(=O)C(=O)N2CCC[C@H]2C(=O)SCCC3=CC=CC=C3

InChI

InChI=1S/C20H25NO3S/c22-18(16-9-4-5-10-16)19(23)21-13-6-11-17(21)20(24)25-14-12-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2/t17-/m0/s1