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

Systemtic Name: S-[(1R,2S)-3-methyl-1-phenyl-2-piperidin-1-yl-butyl] ethanethioate Openeye Name: S-[(1R,2S)-3-methyl-1-phenyl-2-(1-piperidyl)butyl] ethanethioate CAS Name: ethanethioic acid S-[(1R,2S)-3-methyl-1-phenyl-2-(1-piperidinyl)butyl] ester IUPAC Name: S-[(1R,2S)-3-methyl-1-phenyl-2-piperidin-1-ylbutyl] ethanethioate Traditional Name: ethanethioic acid S-[(1R,2S)-3-methyl-1-phenyl-2-piperidino-butyl] ester Formula: C18H27NOS MolecularWeight: 305.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=CC=CC=C1)SC(=O)C)N2CCCCC2

Isomeric SMILES

CC(C)[C@@H]([C@@H](C1=CC=CC=C1)SC(=O)C)N2CCCCC2

InChI

InChI=1S/C18H27NOS/c1-14(2)17(19-12-8-5-9-13-19)18(21-15(3)20)16-10-6-4-7-11-16/h4,6-7,10-11,14,17-18H,5,8-9,12-13H2,1-3H3/t17-,18+/m0/s1