[2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[2-(2-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-[2-(2-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-[2-keto-2-(o-toluidino)ethyl]thiazol-4-yl]methyl ester Formula: C23H19BrN2O4S MolecularWeight: 499.37696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=C(C4=C(O3)C=CC(=C4)Br)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)C3=C(C4=C(O3)C=CC(=C4)Br)C

InChI

InChI=1S/C23H19BrN2O4S/c1-13-5-3-4-6-18(13)26-20(27)10-21-25-16(12-31-21)11-29-23(28)22-14(2)17-9-15(24)7-8-19(17)30-22/h3-9,12H,10-11H2,1-2H3,(H,26,27)