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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-chloro-4-isopropoxy-5-methoxy-phenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(3-chloro-4-isopropoxy-5-methoxy-phenyl)pent-4-enoic acid Formula: C22H22ClNO4S MolecularWeight: 431.93238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C22H22ClNO4S/c1-13(2)28-21-16(23)11-14(12-18(21)27-3)10-15(8-9-20(25)26)22-24-17-6-4-5-7-19(17)29-22/h4-7,10-13H,8-9H2,1-3H3,(H,25,26)/b15-10+