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

Systemtic Name: ethyl 2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)C1=C(NC(=C1)C)C

Isomeric SMILES

CCOC(=O)CSCC(=O)C1=C(NC(=C1)C)C

InChI

InChI=1S/C12H17NO3S/c1-4-16-12(15)7-17-6-11(14)10-5-8(2)13-9(10)3/h5,13H,4,6-7H2,1-3H3