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

Systemtic Name: methyl 4-(2-methylphenyl)-5-oxidanylidene-5-[3-(1,2-thiazol-3-ylmethoxy)phenyl]pentanoate Openeye Name: methyl 5-[3-(isothiazol-3-ylmethoxy)phenyl]-4-(o-tolyl)-5-oxo-pentanoate CAS Name: 5-[3-(3-isothiazolylmethoxy)phenyl]-4-(2-methylphenyl)-5-oxopentanoic acid methyl ester IUPAC Name: methyl 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)valeric acid methyl ester Formula: C23H23NO4S MolecularWeight: 409.49802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23NO4S/c1-16-6-3-4-9-20(16)21(10-11-22(25)27-2)23(26)17-7-5-8-19(14-17)28-15-18-12-13-29-24-18/h3-9,12-14,21H,10-11,15H2,1-2H3