4-(2-methylphenyl)-5-oxidanylidene-5-[3-(thiophen-2-ylmethoxy)phenyl]pentanoic acid

Systemtic Name: 4-(2-methylphenyl)-5-oxidanylidene-5-[3-(thiophen-2-ylmethoxy)phenyl]pentanoic acid Openeye Name: 4-(o-tolyl)-5-oxo-5-[3-(2-thienylmethoxy)phenyl]pentanoic acid CAS Name: 4-(2-methylphenyl)-5-oxo-5-[3-(thiophen-2-ylmethoxy)phenyl]pentanoic acid IUPAC Name: 4-(2-methylphenyl)-5-oxo-5-[3-(thiophen-2-ylmethoxy)phenyl]pentanoic acid Traditional Name: 5-keto-4-(o-tolyl)-5-[3-(2-thenyloxy)phenyl]valeric acid Formula: C23H22O4S MolecularWeight: 394.48338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)O)C(=O)C2=CC(=CC=C2)OCC3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)O)C(=O)C2=CC(=CC=C2)OCC3=CC=CS3

InChI

InChI=1S/C23H22O4S/c1-16-6-2-3-10-20(16)21(11-12-22(24)25)23(26)17-7-4-8-18(14-17)27-15-19-9-5-13-28-19/h2-10,13-14,21H,11-12,15H2,1H3,(H,24,25)