(3,5-dimethylphenyl) 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: (3,5-dimethylphenyl) 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: (3,5-dimethylphenyl) 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid (3,5-dimethylphenyl) ester Formula: C18H15ClO3S MolecularWeight: 346.8279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl)C

InChI

InChI=1S/C18H15ClO3S/c1-10-6-11(2)8-13(7-10)22-18(20)17-16(19)14-5-4-12(21-3)9-15(14)23-17/h4-9H,1-3H3