[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 2-[(4-methylphenoxy)methyl]thiazole-4-carboxylate CAS Name: 2-[(4-methylphenoxy)methyl]-4-thiazolecarboxylic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(4-methylphenoxy)methyl]thiazole-4-carboxylic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H18BrNO5S MolecularWeight: 476.34032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H18BrNO5S/c1-13-3-6-15(7-4-13)27-11-20-23-17(12-29-20)21(25)28-10-18(24)14-5-8-19(26-2)16(22)9-14/h3-9,12H,10-11H2,1-2H3