[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl ester Formula: C20H18BrNO4S2 MolecularWeight: 480.39522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=CSC(=N2)C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H18BrNO4S2/c1-12-3-7-18(28-12)16(23)5-8-19(24)26-10-14-11-27-20(22-14)15-9-13(21)4-6-17(15)25-2/h3-4,6-7,9,11H,5,8,10H2,1-2H3