(4-heptoxyphenyl) 6-methoxy-1,3-benzothiazole-2-carboxylate

Systemtic Name: (4-heptoxyphenyl) 6-methoxy-1,3-benzothiazole-2-carboxylate Openeye Name: (4-heptoxyphenyl) 6-methoxy-1,3-benzothiazole-2-carboxylate CAS Name: 6-methoxy-1,3-benzothiazole-2-carboxylic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 6-methoxy-1,3-benzothiazole-2-carboxylate Traditional Name: 6-methoxy-1,3-benzothiazole-2-carboxylic acid (4-heptoxyphenyl) ester Formula: C22H25NO4S MolecularWeight: 399.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)OC(=O)C2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C22H25NO4S/c1-3-4-5-6-7-14-26-16-8-10-17(11-9-16)27-22(24)21-23-19-13-12-18(25-2)15-20(19)28-21/h8-13,15H,3-7,14H2,1-2H3