phenyl 4-(2-methylphenyl)-5-oxidanylidene-3-(thiophen-3-ylmethoxy)pentanoate

Systemtic Name: phenyl 4-(2-methylphenyl)-5-oxidanylidene-3-(thiophen-3-ylmethoxy)pentanoate Openeye Name: phenyl 4-(o-tolyl)-5-oxo-3-(3-thienylmethoxy)pentanoate CAS Name: 4-(2-methylphenyl)-5-oxo-3-(3-thiophenylmethoxy)pentanoic acid phenyl ester IUPAC Name: phenyl 4-(2-methylphenyl)-5-oxo-3-(thiophen-3-ylmethoxy)pentanoate Traditional Name: 5-keto-4-(o-tolyl)-3-(3-thenyloxy)valeric acid phenyl ester Formula: C23H22O4S MolecularWeight: 394.48338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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