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

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(4-methylphenyl)carbonylbenzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-(4-methylbenzoyl)benzoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-(4-methylbenzoyl)benzoate Traditional Name: 2-p-toluoylbenzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C23H20O4S MolecularWeight: 392.4675

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C23H20O4S/c1-16-10-12-17(13-11-16)22(25)18-6-2-3-7-19(18)23(26)27-14-4-8-20(24)21-9-5-15-28-21/h2-3,5-7,9-13,15H,4,8,14H2,1H3