methyl 3-(1-phenylethylcarbamothioylsulfanyl)propanoate

Systemtic Name: methyl 3-(1-phenylethylcarbamothioylsulfanyl)propanoate Openeye Name: methyl 3-(1-phenylethylcarbamothioylsulfanyl)propanoate CAS Name: 3-[[(1-phenylethylamino)-sulfanylidenemethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(1-phenylethylcarbamothioylsulfanyl)propanoate Traditional Name: 3-(1-phenylethylthiocarbamoylthio)propionic acid methyl ester Formula: C13H17NO2S2 MolecularWeight: 283.40958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)SCCC(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=S)SCCC(=O)OC

InChI

InChI=1S/C13H17NO2S2/c1-10(11-6-4-3-5-7-11)14-13(17)18-9-8-12(15)16-2/h3-7,10H,8-9H2,1-2H3,(H,14,17)