methyl 4-[2,5-dimethyl-3-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxyethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxyethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-[(E)-3-(2-thienyl)prop-2-enoyl]oxyacetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-[(E)-1-oxo-3-thiophen-2-ylprop-2-enoxy]ethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxyacetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-[(E)-3-(2-thienyl)acryloyl]oxyacetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)C=CC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C23H21NO5S/c1-15-13-20(21(25)14-29-22(26)11-10-19-5-4-12-30-19)16(2)24(15)18-8-6-17(7-9-18)23(27)28-3/h4-13H,14H2,1-3H3/b11-10+