methyl 3-[1-(3-cyanophenyl)-6-methoxy-4-methyl-6-oxidanylidene-hexyl]sulfanylbenzoate

Systemtic Name: methyl 3-[1-(3-cyanophenyl)-6-methoxy-4-methyl-6-oxidanylidene-hexyl]sulfanylbenzoate Openeye Name: methyl 3-[1-(3-cyanophenyl)-6-methoxy-4-methyl-6-oxo-hexyl]sulfanylbenzoate CAS Name: 3-[[1-(3-cyanophenyl)-6-methoxy-4-methyl-6-oxohexyl]thio]benzoic acid methyl ester IUPAC Name: methyl 3-[1-(3-cyanophenyl)-6-methoxy-4-methyl-6-oxohexyl]sulfanylbenzoate Traditional Name: 3-[[1-(3-cyanophenyl)-6-keto-6-methoxy-4-methyl-hexyl]thio]benzoic acid methyl ester Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C1=CC=CC(=C1)C#N)SC2=CC=CC(=C2)C(=O)OC)CC(=O)OC

Isomeric SMILES

CC(CCC(C1=CC=CC(=C1)C#N)SC2=CC=CC(=C2)C(=O)OC)CC(=O)OC

InChI

InChI=1S/C23H25NO4S/c1-16(12-22(25)27-2)10-11-21(18-7-4-6-17(13-18)15-24)29-20-9-5-8-19(14-20)23(26)28-3/h4-9,13-14,16,21H,10-12H2,1-3H3