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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1CCOC(=O)C(=CN)SC1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1CCOC(=O)/C(=C/N)/SC1

InChI

InChI=1S/C25H45NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)30-22-18-19-29-25(28)23(20-26)31-21-22/h20,22H,2-19,21,26H2,1H3/b23-20-