(E)-3-(1,3-benzothiazol-2-yl)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]but-3-enoate Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-isobutoxy-3-methoxy-phenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[3-methoxy-4-(2-methylpropoxy)phenyl]but-3-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(4-isobutoxy-3-methoxy-phenyl)but-3-enoate Formula: C22H22NO4S- MolecularWeight: 396.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2)OC

InChI

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