(E)-3-(1,3-benzothiazol-2-yl)-4-(4-propan-2-ylphenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-propan-2-ylphenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-isopropylphenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-propan-2-ylphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-propan-2-ylphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-p-cumenyl-but-3-enoic acid Formula: C20H19NO2S MolecularWeight: 337.43536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO2S/c1-13(2)15-9-7-14(8-10-15)11-16(12-19(22)23)20-21-17-5-3-4-6-18(17)24-20/h3-11,13H,12H2,1-2H3,(H,22,23)/b16-11+