(3,4-dimethylphenyl) 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (3,4-dimethylphenyl) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (3,4-dimethylphenyl) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (3,4-dimethylphenyl) ester Formula: C17H13ClO2S MolecularWeight: 316.80192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClO2S/c1-10-7-8-12(9-11(10)2)20-17(19)16-15(18)13-5-3-4-6-14(13)21-16/h3-9H,1-2H3