methyl 3-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpropanoate CAS Name: 3-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(1H-pyrrol-2-yl)ethyl]thio]propionic acid methyl ester Formula: C10H13NO3S MolecularWeight: 227.28012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)C1=CC=CN1

Isomeric SMILES

COC(=O)CCSCC(=O)C1=CC=CN1

InChI

InChI=1S/C10H13NO3S/c1-14-10(13)4-6-15-7-9(12)8-3-2-5-11-8/h2-3,5,11H,4,6-7H2,1H3