3-[[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-(3-methanoylphenyl)methyl]sulfanylpropanoic acid

Systemtic Name: 3-[[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-(3-methanoylphenyl)methyl]sulfanylpropanoic acid Openeye Name: 3-[[3-(dimethylamino)-3-oxo-propyl]sulfanyl-(3-formylphenyl)methyl]sulfanylpropanoic acid CAS Name: 3-[[[[3-(dimethylamino)-3-oxopropyl]thio]-(3-formylphenyl)methyl]thio]propanoic acid IUPAC Name: 3-[[3-(dimethylamino)-3-oxopropyl]sulfanyl-(3-formylphenyl)methyl]sulfanylpropanoic acid Traditional Name: 3-[[[[3-(dimethylamino)-3-keto-propyl]thio]-(3-formylphenyl)methyl]thio]propionic acid Formula: C16H21NO4S2 MolecularWeight: 355.47224

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCSC(C1=CC=CC(=C1)C=O)SCCC(=O)O

Isomeric SMILES

CN(C)C(=O)CCSC(C1=CC=CC(=C1)C=O)SCCC(=O)O

InChI

InChI=1S/C16H21NO4S2/c1-17(2)14(19)6-8-22-16(23-9-7-15(20)21)13-5-3-4-12(10-13)11-18/h3-5,10-11,16H,6-9H2,1-2H3,(H,20,21)