methyl 4-(2-methylphenyl)-5-oxidanylidene-5-(3-thiophen-3-yloxyphenyl)pentanoate

Systemtic Name: methyl 4-(2-methylphenyl)-5-oxidanylidene-5-(3-thiophen-3-yloxyphenyl)pentanoate Openeye Name: methyl 4-(o-tolyl)-5-oxo-5-[3-(3-thienyloxy)phenyl]pentanoate CAS Name: 4-(2-methylphenyl)-5-oxo-5-[3-(3-thiophenyloxy)phenyl]pentanoic acid methyl ester IUPAC Name: methyl 4-(2-methylphenyl)-5-oxo-5-(3-thiophen-3-yloxyphenyl)pentanoate Traditional Name: 5-keto-4-(o-tolyl)-5-[3-(3-thienyloxy)phenyl]valeric acid methyl ester Formula: C23H22O4S MolecularWeight: 394.48338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCC(=O)OC)C(=O)C2=CC(=CC=C2)OC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1C(CCC(=O)OC)C(=O)C2=CC(=CC=C2)OC3=CSC=C3

InChI

InChI=1S/C23H22O4S/c1-16-6-3-4-9-20(16)21(10-11-22(24)26-2)23(25)17-7-5-8-18(14-17)27-19-12-13-28-15-19/h3-9,12-15,21H,10-11H2,1-2H3