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

Systemtic Name: methyl 3-[2-(1-methylpyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(1-methylpyrrol-3-yl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(1-methyl-3-pyrrolyl)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(1-methylpyrrol-3-yl)ethyl]thio]propionic acid methyl ester Formula: C11H15NO3S MolecularWeight: 241.3067

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)C(=O)CSCCC(=O)OC

Isomeric SMILES

CN1C=CC(=C1)C(=O)CSCCC(=O)OC

InChI

InChI=1S/C11H15NO3S/c1-12-5-3-9(7-12)10(13)8-16-6-4-11(14)15-2/h3,5,7H,4,6,8H2,1-2H3