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

Systemtic Name: methyl 2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl]thio]acetic acid methyl ester Formula: C11H15NO3S MolecularWeight: 241.3067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO3S/c1-7-4-9(8(2)12-7)10(13)5-16-6-11(14)15-3/h4,12H,5-6H2,1-3H3