(2-phenyl-1,3-thiazol-4-yl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid (2-phenylthiazol-4-yl)methyl ester Formula: C20H14BrNO3S MolecularWeight: 428.29906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H14BrNO3S/c1-12-16-9-14(21)7-8-17(16)25-18(12)20(23)24-10-15-11-26-19(22-15)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3