1,3-benzothiazol-2-ylmethyl 4-butoxybenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-butoxybenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H19NO3S/c1-2-3-12-22-15-10-8-14(9-11-15)19(21)23-13-18-20-16-6-4-5-7-17(16)24-18/h4-11H,2-3,12-13H2,1H3