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

Systemtic Name: (4S)-4-(2-methylphenyl)-5-oxidanylidene-5-[3-(thiophen-3-ylmethoxy)phenyl]pentanoic acid Openeye Name: (4S)-4-(o-tolyl)-5-oxo-5-[3-(3-thienylmethoxy)phenyl]pentanoic acid CAS Name: (4S)-4-(2-methylphenyl)-5-oxo-5-[3-(3-thiophenylmethoxy)phenyl]pentanoic acid IUPAC Name: (4S)-4-(2-methylphenyl)-5-oxo-5-[3-(thiophen-3-ylmethoxy)phenyl]pentanoic acid Traditional Name: (4S)-5-keto-4-(o-tolyl)-5-[3-(3-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=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1[C@H](CCC(=O)O)C(=O)C2=CC(=CC=C2)OCC3=CSC=C3

InChI

InChI=1S/C23H22O4S/c1-16-5-2-3-8-20(16)21(9-10-22(24)25)23(26)18-6-4-7-19(13-18)27-14-17-11-12-28-15-17/h2-8,11-13,15,21H,9-10,14H2,1H3,(H,24,25)/t21-/m0/s1