(4-tert-butylphenyl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: (4-tert-butylphenyl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: (4-tert-butylphenyl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid (4-tert-butylbenzyl) ester Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21NO2S/c1-21(2,3)16-10-8-15(9-11-16)14-24-20(23)13-12-19-22-17-6-4-5-7-18(17)25-19/h4-13H,14H2,1-3H3/b13-12+