[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C20H17ClO3S MolecularWeight: 372.86518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl)C)C

InChI

InChI=1S/C20H17ClO3S/c1-11-8-13(3)15(9-12(11)2)16(22)10-24-20(23)19-18(21)14-6-4-5-7-17(14)25-19/h4-9H,10H2,1-3H3