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

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C20H18BrNO4S MolecularWeight: 448.33022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)Br

InChI

InChI=1S/C20H18BrNO4S/c1-25-17-10-9-13(11-14(17)21)16(23)12-26-20(24)8-4-7-19-22-15-5-2-3-6-18(15)27-19/h2-3,5-6,9-11H,4,7-8,12H2,1H3