ethyl 2-[(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]sulfanylacetate Traditional Name: 2-[[(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]thio]acetic acid ethyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(C)C(=O)C1=C(C(=C(N1)C)C(=O)C)C

Isomeric SMILES

CCOC(=O)CS[C@H](C)C(=O)C1=C(C(=C(N1)C)C(=O)C)C

InChI

InChI=1S/C15H21NO4S/c1-6-20-12(18)7-21-11(5)15(19)14-8(2)13(10(4)17)9(3)16-14/h11,16H,6-7H2,1-5H3/t11-/m1/s1