methyl 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyethanoyl)pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyethanoyl)pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(4-thieno[2,3-d]pyrimidinyloxy)ethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-yloxyacetyl)pyrrol-1-yl]benzoic acid methyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC3=C4C=CSC4=NC=N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC3=C4C=CSC4=NC=N3

InChI

InChI=1S/C22H19N3O4S/c1-13-10-18(14(2)25(13)16-6-4-15(5-7-16)22(27)28-3)19(26)11-29-20-17-8-9-30-21(17)24-12-23-20/h4-10,12H,11H2,1-3H3