(E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-2-propan-2-yloxy-phenyl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-2-propan-2-yloxy-phenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-isopropoxy-3-methoxy-phenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-2-propan-2-yloxyphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-methoxy-2-propan-2-yloxyphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-isopropoxy-3-methoxy-phenyl)pent-4-enoic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4S/c1-14(2)27-21-15(7-6-9-18(21)26-3)13-16(11-12-20(24)25)22-23-17-8-4-5-10-19(17)28-22/h4-10,13-14H,11-12H2,1-3H3,(H,24,25)/b16-13+