methyl 3-[(3-aminophenyl)-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-methyl]sulfanylpropanoate

Systemtic Name: methyl 3-[(3-aminophenyl)-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-methyl]sulfanylpropanoate Openeye Name: methyl 3-[(3-aminophenyl)-(3-methoxy-3-oxo-propyl)sulfanyl-methyl]sulfanylpropanoate CAS Name: 3-[[(3-aminophenyl)-[(3-methoxy-3-oxopropyl)thio]methyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-aminophenyl)-(3-methoxy-3-oxopropyl)sulfanylmethyl]sulfanylpropanoate Traditional Name: 3-[[(3-aminophenyl)-[(3-keto-3-methoxy-propyl)thio]methyl]thio]propionic acid methyl ester Formula: C15H21NO4S2 MolecularWeight: 343.46154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(C1=CC(=CC=C1)N)SCCC(=O)OC

Isomeric SMILES

COC(=O)CCSC(C1=CC(=CC=C1)N)SCCC(=O)OC

InChI

InChI=1S/C15H21NO4S2/c1-19-13(17)6-8-21-15(22-9-7-14(18)20-2)11-4-3-5-12(16)10-11/h3-5,10,15H,6-9,16H2,1-2H3