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

Systemtic Name: methyl 4-[3-[2-(2-methoxy-2-oxidanylidene-ethyl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(2-methoxy-2-oxo-ethyl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-[(2-methoxy-2-oxoethyl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(2-methoxy-2-oxoethyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-[(2-keto-2-methoxy-ethyl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSCC(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSCC(=O)OC

InChI

InChI=1S/C19H21NO5S/c1-12-9-16(17(21)10-26-11-18(22)24-3)13(2)20(12)15-7-5-14(6-8-15)19(23)25-4/h5-9H,10-11H2,1-4H3