11-[(5Z)-5-[(2-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoate

Systemtic Name: 11-[(5Z)-5-[(2-methylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoate Openeye Name: 11-[(5Z)-5-(o-tolylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoate CAS Name: 11-[(5Z)-5-[(2-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]undecanoate IUPAC Name: 11-[(5Z)-5-[(2-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoate Traditional Name: 11-[(5Z)-4-keto-5-(2-methylbenzylidene)-2-thioxo-thiazolidin-3-yl]undecanoate Formula: C22H28NO3S2- MolecularWeight: 418.59262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C2C(=O)N(C(=S)S2)CCCCCCCCCCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCCCCCCCCCC(=O)[O-]

InChI

InChI=1S/C22H29NO3S2/c1-17-12-9-10-13-18(17)16-19-21(26)23(22(27)28-19)15-11-7-5-3-2-4-6-8-14-20(24)25/h9-10,12-13,16H,2-8,11,14-15H2,1H3,(H,24,25)/p-1/b19-16-