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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21NO2S/c1-14-13-15(21(2,3)4)9-10-17(14)24-20(23)12-11-19-22-16-7-5-6-8-18(16)25-19/h5-13H,1-4H3/b12-11+