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

Systemtic Name: [3-(1,2-thiazol-3-ylmethoxy)phenyl] 4-(2-methylphenyl)-5-oxidanylidene-pentanoate Openeye Name: [3-(isothiazol-3-ylmethoxy)phenyl] 4-(o-tolyl)-5-oxo-pentanoate CAS Name: 4-(2-methylphenyl)-5-oxopentanoic acid [3-(3-isothiazolylmethoxy)phenyl] ester IUPAC Name: [3-(1,2-thiazol-3-ylmethoxy)phenyl] 4-(2-methylphenyl)-5-oxopentanoate Traditional Name: 5-keto-4-(o-tolyl)valeric acid [3-(isothiazol-3-ylmethoxy)phenyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)OC2=CC(=CC=C2)OCC3=NSC=C3)C=O

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)OC2=CC(=CC=C2)OCC3=NSC=C3)C=O

InChI

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