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

Systemtic Name: 2-pyrrolidin-1-ylethyl 2-hexylsulfanyl-2,2-diphenyl-ethanoate Openeye Name: 2-pyrrolidin-1-ylethyl 2-hexylsulfanyl-2,2-diphenyl-acetate CAS Name: 2-(hexylthio)-2,2-diphenylacetic acid 2-(1-pyrrolidinyl)ethyl ester IUPAC Name: 2-pyrrolidin-1-ylethyl 2-hexylsulfanyl-2,2-diphenylacetate Traditional Name: 2-(hexylthio)-2,2-diphenyl-acetic acid 2-pyrrolidinoethyl ester Formula: C26H35NO2S MolecularWeight: 425.6266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO2S/c1-2-3-4-13-22-30-26(23-14-7-5-8-15-23,24-16-9-6-10-17-24)25(28)29-21-20-27-18-11-12-19-27/h5-10,14-17H,2-4,11-13,18-22H2,1H3