S-[(3R,4S)-2,5-dimethyl-4-pyrrolidin-1-yl-hexan-3-yl] ethanethioate

Systemtic Name: S-[(3R,4S)-2,5-dimethyl-4-pyrrolidin-1-yl-hexan-3-yl] ethanethioate Openeye Name: S-[(1R,2S)-1-isopropyl-3-methyl-2-pyrrolidin-1-yl-butyl] ethanethioate CAS Name: ethanethioic acid S-[(3R,4S)-2,5-dimethyl-4-(1-pyrrolidinyl)hexan-3-yl] ester IUPAC Name: S-[(3R,4S)-2,5-dimethyl-4-pyrrolidin-1-ylhexan-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[(1R,2S)-1-isopropyl-3-methyl-2-pyrrolidino-butyl] ester Formula: C14H27NOS MolecularWeight: 257.43528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(C)C)SC(=O)C)N1CCCC1

Isomeric SMILES

CC(C)[C@@H]([C@@H](C(C)C)SC(=O)C)N1CCCC1

InChI

InChI=1S/C14H27NOS/c1-10(2)13(15-8-6-7-9-15)14(11(3)4)17-12(5)16/h10-11,13-14H,6-9H2,1-5H3/t13-,14+/m0/s1