(E)-3-(1,3-benzothiazol-2-yl)-4-(4-tert-butylphenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-tert-butylphenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-tert-butylphenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-tert-butylphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-tert-butylphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-tert-butylphenyl)but-3-enoic acid Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO2S/c1-21(2,3)16-10-8-14(9-11-16)12-15(13-19(23)24)20-22-17-6-4-5-7-18(17)25-20/h4-12H,13H2,1-3H3,(H,23,24)/b15-12+