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

Systemtic Name: methyl 3-[[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-(3-methanoylphenyl)methyl]sulfanylpropanoate Openeye Name: methyl 3-[[3-(dimethylamino)-3-oxo-propyl]sulfanyl-(3-formylphenyl)methyl]sulfanylpropanoate CAS Name: 3-[[[[3-(dimethylamino)-3-oxopropyl]thio]-(3-formylphenyl)methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-(dimethylamino)-3-oxopropyl]sulfanyl-(3-formylphenyl)methyl]sulfanylpropanoate Traditional Name: 3-[[[[3-(dimethylamino)-3-keto-propyl]thio]-(3-formylphenyl)methyl]thio]propionic acid methyl ester Formula: C17H23NO4S2 MolecularWeight: 369.49882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4S2/c1-18(2)15(20)7-9-23-17(24-10-8-16(21)22-3)14-6-4-5-13(11-14)12-19/h4-6,11-12,17H,7-10H2,1-3H3