(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(4-chlorophenyl)carbonylbenzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C22H17ClO4S MolecularWeight: 412.88598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C22H17ClO4S/c23-16-11-9-15(10-12-16)21(25)17-5-1-2-6-18(17)22(26)27-13-3-7-19(24)20-8-4-14-28-20/h1-2,4-6,8-12,14H,3,7,13H2