O-[1,3-bis[(E)-octadec-9-enoxy]propan-2-yl] N-(2-pyrrolidin-1-ylethyl)carbamothioate

Systemtic Name: O-[1,3-bis[(E)-octadec-9-enoxy]propan-2-yl] N-(2-pyrrolidin-1-ylethyl)carbamothioate Openeye Name: O-[2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] N-(2-pyrrolidin-1-ylethyl)carbamothioate CAS Name: N-[2-(1-pyrrolidinyl)ethyl]carbamothioic acid O-[1,3-bis[(E)-octadec-9-enoxy]propan-2-yl] ester IUPAC Name: O-[1,3-bis[(E)-octadec-9-enoxy]propan-2-yl] N-(2-pyrrolidin-1-ylethyl)carbamothioate Traditional Name: N-(2-pyrrolidinoethyl)thiocarbamic acid O-[2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl] ester Formula: C46H88N2O3S MolecularWeight: 749.26752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(COCCCCCCCCC=CCCCCCCCC)OC(=S)NCCN1CCCC1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(OC(=S)NCCN1CCCC1)COCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C46H88N2O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41-49-43-45(51-46(52)47-37-40-48-38-33-34-39-48)44-50-42-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45H,3-16,21-44H2,1-2H3,(H,47,52)/b19-17+,20-18+