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diethyl 2-[icosyl(sulfanyl)carbamothioyl]butanedioate

diethyl 2-[icosyl(sulfanyl)carbamothioyl]butanedioate

Systemtic Name:diethyl 2-[icosyl(sulfanyl)carbamothioyl]butanedioate
Openeye Name:diethyl 2-[icosyl(sulfanyl)carbamothioyl]butanedioate
CAS Name:2-[[eicosyl(mercapto)amino]-sulfanylidenemethyl]butanedioic acid diethyl ester
IUPAC Name:diethyl 2-[icosyl(sulfanyl)carbamothioyl]butanedioate
Traditional Name:2-[arachyl(mercapto)thiocarbamoyl]succinic acid diethyl ester
Formula: C29H55NO4S2
MolecularWeight: 545.8813
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCN(C(=S)C(CC(=O)OCC)C(=O)OCC)S


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCN(C(=S)C(CC(=O)OCC)C(=O)OCC)S


InChI

InChI=1S/C29H55NO4S2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(36)28(35)26(29(32)34-6-3)25-27(31)33-5-2/h26,36H,4-25H2,1-3H3


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