(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C14H12BrClN2O4S MolecularWeight: 419.67808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=C(SN=N2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=C(SN=N2)Cl

InChI

InChI=1S/C14H12BrClN2O4S/c1-21-12-4-2-8(15)6-9(12)11(19)3-5-13(20)22-7-10-14(16)23-18-17-10/h2,4,6H,3,5,7H2,1H3