methyl 3-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]benzoate

Systemtic Name: methyl 3-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]benzoate Openeye Name: methyl 3-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]benzoate CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-oxobutoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]benzoate Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)butanoyloxymethyl]benzoic acid methyl ester Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H19NO4S/c1-24-20(23)15-7-4-6-14(12-15)13-25-19(22)11-5-10-18-21-16-8-2-3-9-17(16)26-18/h2-4,6-9,12H,5,10-11,13H2,1H3