ethyl 2-[2-[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[1-(4-bromo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C19H22BrNO3S MolecularWeight: 424.35188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)C1=C(N(C(=C1)C)C2=CC(=C(C=C2)Br)C)C

Isomeric SMILES

CCOC(=O)CSCC(=O)C1=C(N(C(=C1)C)C2=CC(=C(C=C2)Br)C)C

InChI

InChI=1S/C19H22BrNO3S/c1-5-24-19(23)11-25-10-18(22)16-9-13(3)21(14(16)4)15-6-7-17(20)12(2)8-15/h6-9H,5,10-11H2,1-4H3