S-(3-phenylpropyl) (2S)-1-(2-cyclopentyl-2-oxidanylidene-ethanoyl)pyrrolidine-2-carbothioate

Systemtic Name: S-(3-phenylpropyl) (2S)-1-(2-cyclopentyl-2-oxidanylidene-ethanoyl)pyrrolidine-2-carbothioate Openeye Name: S-(3-phenylpropyl) (2S)-1-(2-cyclopentyl-2-oxo-acetyl)pyrrolidine-2-carbothioate CAS Name: (2S)-1-(2-cyclopentyl-1,2-dioxoethyl)-2-pyrrolidinecarbothioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) (2S)-1-(2-cyclopentyl-2-oxoacetyl)pyrrolidine-2-carbothioate Traditional Name: (2S)-1-(2-cyclopentyl-2-keto-acetyl)pyrrolidine-2-carbothioic acid S-(3-phenylpropyl) ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)C(=O)N2CCCC2C(=O)SCCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)C(=O)C(=O)N2CCC[C@H]2C(=O)SCCCC3=CC=CC=C3

InChI

InChI=1S/C21H27NO3S/c23-19(17-11-4-5-12-17)20(24)22-14-6-13-18(22)21(25)26-15-7-10-16-8-2-1-3-9-16/h1-3,8-9,17-18H,4-7,10-15H2/t18-/m0/s1