methyl 3-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSCCC(=O)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSCCC(=O)OC

InChI

InChI=1S/C14H19NO4S/c1-8-13(10(3)16)9(2)15-14(8)11(17)7-20-6-5-12(18)19-4/h15H,5-7H2,1-4H3