[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C19H15ClO3S MolecularWeight: 358.8386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClO3S/c1-11-7-9-13(10-8-11)17(21)12(2)23-19(22)18-16(20)14-5-3-4-6-15(14)24-18/h3-10,12H,1-2H3