[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 3-bromanyl-4-ethoxy-benzoate

Systemtic Name: [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 3-bromanyl-4-ethoxy-benzoate Openeye Name: [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 3-bromo-4-ethoxy-benzoate CAS Name: 3-bromo-4-ethoxybenzoic acid [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 3-bromo-4-ethoxybenzoate Traditional Name: 3-bromo-4-ethoxy-benzoic acid [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] ester Formula: C23H18BrNO3S MolecularWeight: 468.36292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)Br

InChI

InChI=1S/C23H18BrNO3S/c1-3-27-20-11-7-16(13-18(20)24)23(26)28-17-8-5-15(6-9-17)22-25-19-10-4-14(2)12-21(19)29-22/h4-13H,3H2,1-2H3