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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-chloranyl-5-methoxy-4-propan-2-yloxy-phenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-chloro-4-isopropoxy-5-methoxy-phenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-chloro-4-isopropoxy-5-methoxy-phenyl)but-3-enoic acid Formula: C21H20ClNO4S MolecularWeight: 417.9058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO4S/c1-12(2)27-20-15(22)9-13(10-17(20)26-3)8-14(11-19(24)25)21-23-16-6-4-5-7-18(16)28-21/h4-10,12H,11H2,1-3H3,(H,24,25)/b14-8+