1,3-benzothiazol-2-ylmethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H16BrNO4S MolecularWeight: 434.30364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H16BrNO4S/c1-24-16-8-6-12(20)10-13(16)15(22)7-9-19(23)25-11-18-21-14-4-2-3-5-17(14)26-18/h2-6,8,10H,7,9,11H2,1H3