(E)-3-(1,3-benzothiazol-2-yl)-4-(3-methoxy-2-propan-2-yloxy-phenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-methoxy-2-propan-2-yloxy-phenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-isopropoxy-3-methoxy-phenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-methoxy-2-propan-2-yloxyphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-methoxy-2-propan-2-yloxyphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(2-isopropoxy-3-methoxy-phenyl)but-3-enoic acid Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC=C1OC)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)OC1=C(C=CC=C1OC)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21NO4S/c1-13(2)26-20-14(7-6-9-17(20)25-3)11-15(12-19(23)24)21-22-16-8-4-5-10-18(16)27-21/h4-11,13H,12H2,1-3H3,(H,23,24)/b15-11+