methyl 4-[3-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(2-ethoxy-2-oxo-ethyl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-[(2-ethoxy-2-oxoethyl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(2-ethoxy-2-oxoethyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-[(2-ethoxy-2-keto-ethyl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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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)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-5-26-19(23)12-27-11-18(22)17-10-13(2)21(14(17)3)16-8-6-15(7-9-16)20(24)25-4/h6-10H,5,11-12H2,1-4H3