3-[(4-butoxyphenyl)methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[(4-butoxyphenyl)methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(4-butoxyphenyl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[(4-butoxyphenyl)methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(4-butoxyphenyl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-(4-butoxybenzyl)-1,3-benzothiazol-2-one Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CN2C3=CC=CC=C3SC2=O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C18H19NO2S/c1-2-3-12-21-15-10-8-14(9-11-15)13-19-16-6-4-5-7-17(16)22-18(19)20/h4-11H,2-3,12-13H2,1H3