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

Systemtic Name: methyl 3-[[3-(dimethylamino)-3-oxidanylidene-propyl]sulfanyl-(3-methoxyphenyl)methyl]sulfanylpropanoate Openeye Name: methyl 3-[[3-(dimethylamino)-3-oxo-propyl]sulfanyl-(3-methoxyphenyl)methyl]sulfanylpropanoate CAS Name: 3-[[[[3-(dimethylamino)-3-oxopropyl]thio]-(3-methoxyphenyl)methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-(dimethylamino)-3-oxopropyl]sulfanyl-(3-methoxyphenyl)methyl]sulfanylpropanoate Traditional Name: 3-[[[[3-(dimethylamino)-3-keto-propyl]thio]-(3-methoxyphenyl)methyl]thio]propionic acid methyl ester Formula: C17H25NO4S2 MolecularWeight: 371.5147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4S2/c1-18(2)15(19)8-10-23-17(24-11-9-16(20)22-4)13-6-5-7-14(12-13)21-3/h5-7,12,17H,8-11H2,1-4H3