2-bromanyl-6-ethoxy-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenolate

Systemtic Name: 2-bromanyl-6-ethoxy-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenolate Openeye Name: 2-bromo-6-ethoxy-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-thiazol-5-ylidene)methyl]phenolate CAS Name: 2-bromo-6-ethoxy-4-[(E)-[2-(4-morpholin-4-iumyl)-4-oxo-5-thiazolylidene]methyl]phenolate IUPAC Name: 2-bromo-6-ethoxy-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]phenolate Traditional Name: 2-bromo-6-ethoxy-4-[(E)-(4-keto-2-morpholin-4-ium-4-yl-2-thiazolin-5-ylidene)methyl]phenolate Formula: C16H17BrN2O4S MolecularWeight: 413.28618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)[NH+]3CCOCC3)Br)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)N=C(S2)[NH+]3CCOCC3)Br)[O-]

InChI

InChI=1S/C16H17BrN2O4S/c1-2-23-12-8-10(7-11(17)14(12)20)9-13-15(21)18-16(24-13)19-3-5-22-6-4-19/h7-9,20H,2-6H2,1H3/b13-9+