S-[(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-yl-butyl] ethanethioate

Systemtic Name: S-[(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-yl-butyl] ethanethioate Openeye Name: S-[(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-yl-butyl] ethanethioate CAS Name: ethanethioic acid S-[(1R,2S)-3-methyl-1-phenyl-2-(1-pyrrolidinyl)butyl] ester IUPAC Name: S-[(1R,2S)-3-methyl-1-phenyl-2-pyrrolidin-1-ylbutyl] ethanethioate Traditional Name: ethanethioic acid S-[(1R,2S)-3-methyl-1-phenyl-2-pyrrolidino-butyl] ester Formula: C17H25NOS MolecularWeight: 291.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=CC=CC=C1)SC(=O)C)N2CCCC2

Isomeric SMILES

CC(C)[C@@H]([C@@H](C1=CC=CC=C1)SC(=O)C)N2CCCC2

InChI

InChI=1S/C17H25NOS/c1-13(2)16(18-11-7-8-12-18)17(20-14(3)19)15-9-5-4-6-10-15/h4-6,9-10,13,16-17H,7-8,11-12H2,1-3H3/t16-,17+/m0/s1