[(3Z)-3-(azanylmethylidene)-6-heptyl-2-oxidanylidene-1,4-oxathiocan-6-yl] undecanoate

Systemtic Name: [(3Z)-3-(azanylmethylidene)-6-heptyl-2-oxidanylidene-1,4-oxathiocan-6-yl] undecanoate Openeye Name: [(3Z)-3-(aminomethylene)-6-heptyl-2-oxo-1,4-oxathiocan-6-yl] undecanoate CAS Name: undecanoic acid [(3Z)-3-(aminomethylidene)-6-heptyl-2-oxo-1,4-oxathiocan-6-yl] ester IUPAC Name: [(3Z)-3-(aminomethylidene)-6-heptyl-2-oxo-1,4-oxathiocan-6-yl] undecanoate Traditional Name: undecanoic acid [(3Z)-3-(aminomethylene)-6-heptyl-2-keto-1,4-oxathiocan-6-yl] ester Formula: C25H45NO4S MolecularWeight: 455.6941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OC1(CCOC(=O)C(=CN)SC1)CCCCCCC

Isomeric SMILES

CCCCCCCCCCC(=O)OC1(CCOC(=O)/C(=C/N)/SC1)CCCCCCC

InChI

InChI=1S/C25H45NO4S/c1-3-5-7-9-10-11-12-14-16-23(27)30-25(17-15-13-8-6-4-2)18-19-29-24(28)22(20-26)31-21-25/h20H,3-19,21,26H2,1-2H3/b22-20-