methyl 3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CSCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CSCCC(=O)OC

InChI

InChI=1S/C12H17NO3S/c1-8-6-10(9(2)13-8)11(14)7-17-5-4-12(15)16-3/h6,13H,4-5,7H2,1-3H3