[4-[(2-morpholin-4-yl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[(2-morpholin-4-yl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(2-morpholino-4-oxo-thiazol-5-ylidene)methyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[[2-(4-morpholinyl)-4-oxo-5-thiazolylidene]methyl]phenyl] ester IUPAC Name: [4-[(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-ylidene)methyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(4-keto-2-morpholino-2-thiazolin-5-ylidene)methyl]phenyl] ester Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)S2

Isomeric SMILES

C1COCCN1C2=NC(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)S2

InChI

InChI=1S/C21H17BrN2O4S/c22-16-5-3-15(4-6-16)20(26)28-17-7-1-14(2-8-17)13-18-19(25)23-21(29-18)24-9-11-27-12-10-24/h1-8,13H,9-12H2