octadecyl (3Z)-3-(azanylmethylidene)-2-oxidanylidene-1,4-oxathiocane-6-carboxylate

Systemtic Name: octadecyl (3Z)-3-(azanylmethylidene)-2-oxidanylidene-1,4-oxathiocane-6-carboxylate Openeye Name: octadecyl (3Z)-3-(aminomethylene)-2-oxo-1,4-oxathiocane-6-carboxylate CAS Name: (3Z)-3-(aminomethylidene)-2-oxo-1,4-oxathiocane-6-carboxylic acid octadecyl ester IUPAC Name: octadecyl (3Z)-3-(aminomethylidene)-2-oxo-1,4-oxathiocane-6-carboxylate Traditional Name: (3Z)-3-(aminomethylene)-2-keto-1,4-oxathiocane-6-carboxylic acid stearyl ester Formula: C26H47NO4S MolecularWeight: 469.72068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1CCOC(=O)C(=CN)SC1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1CCOC(=O)/C(=C/N)/SC1

InChI

InChI=1S/C26H47NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-30-25(28)23-18-20-31-26(29)24(21-27)32-22-23/h21,23H,2-20,22,27H2,1H3/b24-21-