methyl 6-(3-cyanophenyl)-6-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-hexanoate

Systemtic Name: methyl 6-(3-cyanophenyl)-6-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-hexanoate Openeye Name: methyl 6-(3-cyanophenyl)-6-(3-methoxy-3-oxo-propyl)sulfanyl-hexanoate CAS Name: 6-(3-cyanophenyl)-6-[(3-methoxy-3-oxopropyl)thio]hexanoic acid methyl ester IUPAC Name: methyl 6-(3-cyanophenyl)-6-(3-methoxy-3-oxopropyl)sulfanylhexanoate Traditional Name: 6-(3-cyanophenyl)-6-[(3-keto-3-methoxy-propyl)thio]hexanoic acid methyl ester Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(C1=CC=CC(=C1)C#N)SCCC(=O)OC

Isomeric SMILES

COC(=O)CCCCC(C1=CC=CC(=C1)C#N)SCCC(=O)OC

InChI

InChI=1S/C18H23NO4S/c1-22-17(20)9-4-3-8-16(24-11-10-18(21)23-2)15-7-5-6-14(12-15)13-19/h5-7,12,16H,3-4,8-11H2,1-2H3