methyl 4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]benzoate

Systemtic Name: methyl 4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]benzoate Openeye Name: methyl 4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]benzoate CAS Name: 4-[[7-(trifluoromethyl)-3-phenothiazinylidene]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]benzoate Traditional Name: 4-[[7-(trifluoromethyl)phenothiazin-3-ylidene]amino]benzoic acid methyl ester Formula: C21H13F3N2O2S MolecularWeight: 414.40033

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N=C2C=CC3=NC4=C(C=C(C=C4)C(F)(F)F)SC3=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N=C2C=CC3=NC4=C(C=C(C=C4)C(F)(F)F)SC3=C2

InChI

InChI=1S/C21H13F3N2O2S/c1-28-20(27)12-2-5-14(6-3-12)25-15-7-9-17-19(11-15)29-18-10-13(21(22,23)24)4-8-16(18)26-17/h2-11H,1H3