[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)C4=C(C=CC(=C4)Br)OC)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)C4=C(C=CC(=C4)Br)OC)N=C1C

InChI

InChI=1S/C22H18BrN3O3S/c1-12-13(2)25-19-8-14(4-6-18(19)24-12)22(27)29-10-16-11-30-21(26-16)17-9-15(23)5-7-20(17)28-3/h4-9,11H,10H2,1-3H3