ethyl 6-(4-methylphenyl)-4-oxidanylidene-2-(phenylsulfinylmethyl)heptanoate

Systemtic Name: ethyl 6-(4-methylphenyl)-4-oxidanylidene-2-(phenylsulfinylmethyl)heptanoate Openeye Name: ethyl 2-(benzenesulfinylmethyl)-4-oxo-6-(p-tolyl)heptanoate CAS Name: 2-(benzenesulfinylmethyl)-6-(4-methylphenyl)-4-oxoheptanoic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfinylmethyl)-6-(4-methylphenyl)-4-oxoheptanoate Traditional Name: 2-(benzenesulfinylmethyl)-4-keto-6-(p-tolyl)enanthic acid ethyl ester Formula: C23H28O4S MolecularWeight: 400.53102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(=O)CC(C)C1=CC=C(C=C1)C)CS(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CC(=O)CC(C)C1=CC=C(C=C1)C)CS(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H28O4S/c1-4-27-23(25)20(16-28(26)22-8-6-5-7-9-22)15-21(24)14-18(3)19-12-10-17(2)11-13-19/h5-13,18,20H,4,14-16H2,1-3H3