[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=C(C4=CC=CC=C4O3)COC

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C3=C(C4=CC=CC=C4O3)COC

InChI

InChI=1S/C22H20N2O4S/c1-14-7-9-15(10-8-14)23-22-24-16(13-29-22)11-27-21(25)20-18(12-26-2)17-5-3-4-6-19(17)28-20/h3-10,13H,11-12H2,1-2H3,(H,23,24)