methyl 2-[[3-(diethylamino)-3-oxidanylidene-propyl]sulfanyl-(2-methanoylphenyl)methyl]sulfanylpropanoate

Systemtic Name: methyl 2-[[3-(diethylamino)-3-oxidanylidene-propyl]sulfanyl-(2-methanoylphenyl)methyl]sulfanylpropanoate Openeye Name: methyl 2-[[3-(diethylamino)-3-oxo-propyl]sulfanyl-(2-formylphenyl)methyl]sulfanylpropanoate CAS Name: 2-[[[[3-(diethylamino)-3-oxopropyl]thio]-(2-formylphenyl)methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[3-(diethylamino)-3-oxopropyl]sulfanyl-(2-formylphenyl)methyl]sulfanylpropanoate Traditional Name: 2-[[[[3-(diethylamino)-3-keto-propyl]thio]-(2-formylphenyl)methyl]thio]propionic acid methyl ester Formula: C19H27NO4S2 MolecularWeight: 397.55198

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCSC(C1=CC=CC=C1C=O)SC(C)C(=O)OC

Isomeric SMILES

CCN(CC)C(=O)CCSC(C1=CC=CC=C1C=O)SC(C)C(=O)OC

InChI

InChI=1S/C19H27NO4S2/c1-5-20(6-2)17(22)11-12-25-19(26-14(3)18(23)24-4)16-10-8-7-9-15(16)13-21/h7-10,13-14,19H,5-6,11-12H2,1-4H3