(4-chloranyl-3,5-dimethyl-phenyl) 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C17H12Cl2O2S MolecularWeight: 351.24698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H12Cl2O2S/c1-9-7-11(8-10(2)14(9)18)21-17(20)16-15(19)12-5-3-4-6-13(12)22-16/h3-8H,1-2H3