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

Systemtic Name: (2,5-dimethylphenyl)methyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (2,5-dimethylphenyl)methyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (2,5-dimethylbenzyl) ester Formula: C18H15ClO2S MolecularWeight: 330.8285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H15ClO2S/c1-11-7-8-12(2)13(9-11)10-21-18(20)17-16(19)14-5-3-4-6-15(14)22-17/h3-9H,10H2,1-2H3