dimethyl 2-[icosyl(sulfanyl)carbamothioyl]butanedioate

Systemtic Name: dimethyl 2-[icosyl(sulfanyl)carbamothioyl]butanedioate Openeye Name: dimethyl 2-[icosyl(sulfanyl)carbamothioyl]butanedioate CAS Name: 2-[[eicosyl(mercapto)amino]-sulfanylidenemethyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[icosyl(sulfanyl)carbamothioyl]butanedioate Traditional Name: 2-[arachyl(mercapto)thiocarbamoyl]succinic acid dimethyl ester Formula: C27H51NO4S2 MolecularWeight: 517.82814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H51NO4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(34)26(33)24(27(30)32-3)23-25(29)31-2/h24,34H,4-23H2,1-3H3