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

Systemtic Name: ethyl 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C14H21NO3S MolecularWeight: 283.38644

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSCC(=O)OCC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSCC(=O)OCC)C

InChI

InChI=1S/C14H21NO3S/c1-5-15-10(3)7-12(11(15)4)13(16)8-19-9-14(17)18-6-2/h7H,5-6,8-9H2,1-4H3