3-[[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-[3-(hydroxymethyl)phenyl]methyl]sulfanylpropanoate

Systemtic Name: 3-[[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-[3-(hydroxymethyl)phenyl]methyl]sulfanylpropanoate Openeye Name: 3-[[3-(dimethylamino)-3-oxo-propyl]sulfanyl-[3-(hydroxymethyl)phenyl]methyl]sulfanylpropanoate CAS Name: 3-[[[[3-(dimethylamino)-3-oxopropyl]thio]-[3-(hydroxymethyl)phenyl]methyl]thio]propanoate IUPAC Name: 3-[[3-(dimethylamino)-3-oxopropyl]sulfanyl-[3-(hydroxymethyl)phenyl]methyl]sulfanylpropanoate Traditional Name: 3-[[[[3-(dimethylamino)-3-keto-propyl]thio]-(3-methylolphenyl)methyl]thio]propionate Formula: C16H22NO4S2- MolecularWeight: 356.48018

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCSC(C1=CC=CC(=C1)CO)SCCC(=O)[O-]

Isomeric SMILES

CN(C)C(=O)CCSC(C1=CC=CC(=C1)CO)SCCC(=O)[O-]

InChI

InChI=1S/C16H23NO4S2/c1-17(2)14(19)6-8-22-16(23-9-7-15(20)21)13-5-3-4-12(10-13)11-18/h3-5,10,16,18H,6-9,11H2,1-2H3,(H,20,21)/p-1