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

Systemtic Name: methyl 4-[3-(1,3-benzothiazol-2-yl)propanoyloxy]benzoate Openeye Name: methyl 4-[3-(1,3-benzothiazol-2-yl)propanoyloxy]benzoate CAS Name: 4-[3-(1,3-benzothiazol-2-yl)-1-oxopropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1,3-benzothiazol-2-yl)propanoyloxy]benzoate Traditional Name: 4-[3-(1,3-benzothiazol-2-yl)propanoyloxy]benzoic acid methyl ester Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H15NO4S/c1-22-18(21)12-6-8-13(9-7-12)23-17(20)11-10-16-19-14-4-2-3-5-15(14)24-16/h2-9H,10-11H2,1H3