N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanamide

Systemtic Name: N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanamide Openeye Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-2-(1-methylene-3-oxo-isoindolin-2-yl)acetamide CAS Name: N-[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]-2-(1-methylene-3-oxo-2-isoindolyl)acetamide IUPAC Name: N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide Traditional Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-2-(1-keto-3-methylene-isoindolin-2-yl)acetamide Formula: C21H16BrN3O3S MolecularWeight: 470.33904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=C)C4=CC=CC=C4C3=O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CN3C(=C)C4=CC=CC=C4C3=O)Br

InChI

InChI=1S/C21H16BrN3O3S/c1-12-14-5-3-4-6-15(14)20(27)25(12)10-19(26)24-21-23-17(11-29-21)13-7-8-18(28-2)16(22)9-13/h3-9,11H,1,10H2,2H3,(H,23,24,26)