methyl 5-[[2-(1,3-benzothiazol-2-yl)phenyl]carbonyloxymethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[2-(1,3-benzothiazol-2-yl)phenyl]carbonyloxymethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[2-(1,3-benzothiazol-2-yl)benzoyl]oxymethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[2-(1,3-benzothiazol-2-yl)phenyl]-oxomethoxy]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(1,3-benzothiazol-2-yl)benzoyl]oxymethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[2-(1,3-benzothiazol-2-yl)benzoyl]oxymethyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C22H17NO5S/c1-13-17(21(24)26-2)11-14(28-13)12-27-22(25)16-8-4-3-7-15(16)20-23-18-9-5-6-10-19(18)29-20/h3-11H,12H2,1-2H3