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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-propan-2-yloxyphenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-isopropoxyphenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-propan-2-yloxyphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-propan-2-yloxyphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-isopropoxyphenyl)but-3-enoic acid Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C=C(CC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)OC1=CC=CC=C1/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H19NO3S/c1-13(2)24-17-9-5-3-7-14(17)11-15(12-19(22)23)20-21-16-8-4-6-10-18(16)25-20/h3-11,13H,12H2,1-2H3,(H,22,23)/b15-11+