(E)-4-(1,3-benzothiazol-2-yl)-5-(4-tert-butylphenyl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-tert-butylphenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-tert-butylphenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-tert-butylphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-tert-butylphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-tert-butylphenyl)pent-4-enoic acid Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO2S/c1-22(2,3)17-11-8-15(9-12-17)14-16(10-13-20(24)25)21-23-18-6-4-5-7-19(18)26-21/h4-9,11-12,14H,10,13H2,1-3H3,(H,24,25)/b16-14+