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

Systemtic Name: 2-bromanyl-6-methoxy-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenolate Openeye Name: 2-bromo-6-methoxy-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-thiazol-5-ylidene)methyl]phenolate CAS Name: 2-bromo-6-methoxy-4-[(E)-[2-(4-morpholin-4-iumyl)-4-oxo-5-thiazolylidene]methyl]phenolate IUPAC Name: 2-bromo-6-methoxy-4-[(E)-(2-morpholin-4-ium-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]phenolate Traditional Name: 2-bromo-4-[(E)-(4-keto-2-morpholin-4-ium-4-yl-2-thiazolin-5-ylidene)methyl]-6-methoxy-phenolate Formula: C15H15BrN2O4S MolecularWeight: 399.2596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)[NH+]3CCOCC3)Br)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/2\C(=O)N=C(S2)[NH+]3CCOCC3)Br)[O-]

InChI

InChI=1S/C15H15BrN2O4S/c1-21-11-7-9(6-10(16)13(11)19)8-12-14(20)17-15(23-12)18-2-4-22-5-3-18/h6-8,19H,2-5H2,1H3/b12-8+