(E)-2-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-4,5-diphenyl-octadec-9-enoic acid

Systemtic Name: (E)-2-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-4,5-diphenyl-octadec-9-enoic acid Openeye Name: (E)-2-ethyl-2-oxazol-2-ylsulfanyl-4,5-diphenyl-octadec-9-enoic acid CAS Name: (E)-2-ethyl-2-(2-oxazolylthio)-4,5-diphenyl-9-octadecenoic acid IUPAC Name: (E)-2-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-4,5-diphenyloctadec-9-enoic acid Traditional Name: (E)-2-ethyl-2-(oxazol-2-ylthio)-4,5-diphenyl-octadec-9-enoic acid Formula: C35H47NO3S MolecularWeight: 561.81758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCC(C1=CC=CC=C1)C(CC(CC)(C(=O)O)SC2=NC=CO2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC/C=C/CCCC(C1=CC=CC=C1)C(CC(CC)(C(=O)O)SC2=NC=CO2)C3=CC=CC=C3

InChI

InChI=1S/C35H47NO3S/c1-3-5-6-7-8-9-10-11-12-13-20-25-31(29-21-16-14-17-22-29)32(30-23-18-15-19-24-30)28-35(4-2,33(37)38)40-34-36-26-27-39-34/h11-12,14-19,21-24,26-27,31-32H,3-10,13,20,25,28H2,1-2H3,(H,37,38)/b12-11+