[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C19H16BrNO4S MolecularWeight: 434.30364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)Br

InChI

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