4-(2-methylphenyl)-5-oxidanylidene-5-[3-(1,2-thiazol-3-ylmethoxy)phenyl]pentanoate

Systemtic Name: 4-(2-methylphenyl)-5-oxidanylidene-5-[3-(1,2-thiazol-3-ylmethoxy)phenyl]pentanoate Openeye Name: 5-[3-(isothiazol-3-ylmethoxy)phenyl]-4-(o-tolyl)-5-oxo-pentanoate CAS Name: 5-[3-(3-isothiazolylmethoxy)phenyl]-4-(2-methylphenyl)-5-oxopentanoate IUPAC Name: 4-(2-methylphenyl)-5-oxo-5-[3-(1,2-thiazol-3-ylmethoxy)phenyl]pentanoate Traditional Name: 5-[3-(isothiazol-3-ylmethoxy)phenyl]-5-keto-4-(o-tolyl)valerate Formula: C22H20NO4S- MolecularWeight: 394.4635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)[O-])C(=O)C2=CC(=CC=C2)OCC3=NSC=C3

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)[O-])C(=O)C2=CC(=CC=C2)OCC3=NSC=C3

InChI

InChI=1S/C22H21NO4S/c1-15-5-2-3-8-19(15)20(9-10-21(24)25)22(26)16-6-4-7-18(13-16)27-14-17-11-12-28-23-17/h2-8,11-13,20H,9-10,14H2,1H3,(H,24,25)/p-1