S-(3-pyridin-3-ylpropyl) (2S)-1-oxaldehydoylpyrrolidine-2-carbothioate

Systemtic Name: S-(3-pyridin-3-ylpropyl) (2S)-1-oxaldehydoylpyrrolidine-2-carbothioate Openeye Name: S-[3-(3-pyridyl)propyl] (2S)-1-oxaldehydoylpyrrolidine-2-carbothioate CAS Name: (2S)-1-oxaldehydoyl-2-pyrrolidinecarbothioic acid S-[3-(3-pyridinyl)propyl] ester IUPAC Name: S-(3-pyridin-3-ylpropyl) (2S)-1-oxaldehydoylpyrrolidine-2-carbothioate Traditional Name: (2S)-1-glyoxyloylpyrrolidine-2-carbothioic acid S-[3-(3-pyridyl)propyl] ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=O)C(=O)SCCCC2=CN=CC=C2

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C=O)C(=O)SCCCC2=CN=CC=C2

InChI

InChI=1S/C15H18N2O3S/c18-11-14(19)17-8-2-6-13(17)15(20)21-9-3-5-12-4-1-7-16-10-12/h1,4,7,10-11,13H,2-3,5-6,8-9H2/t13-/m0/s1