2-pyrrolidin-1-ylethyl 2-pentylsulfanyl-2,2-diphenyl-ethanoate

Systemtic Name: 2-pyrrolidin-1-ylethyl 2-pentylsulfanyl-2,2-diphenyl-ethanoate Openeye Name: 2-pyrrolidin-1-ylethyl 2-pentylsulfanyl-2,2-diphenyl-acetate CAS Name: 2-(pentylthio)-2,2-diphenylacetic acid 2-(1-pyrrolidinyl)ethyl ester IUPAC Name: 2-pyrrolidin-1-ylethyl 2-pentylsulfanyl-2,2-diphenylacetate Traditional Name: 2-(amylthio)-2,2-diphenyl-acetic acid 2-pyrrolidinoethyl ester Formula: C25H33NO2S MolecularWeight: 411.60002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN3CCCC3

Isomeric SMILES

CCCCCSC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN3CCCC3

InChI

InChI=1S/C25H33NO2S/c1-2-3-12-21-29-25(22-13-6-4-7-14-22,23-15-8-5-9-16-23)24(27)28-20-19-26-17-10-11-18-26/h4-9,13-16H,2-3,10-12,17-21H2,1H3