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

Systemtic Name: methyl 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C22H19N3O3S2/c1-13-10-18(14(2)25(13)16-6-4-15(5-7-16)22(27)28-3)19(26)11-30-21-17-8-9-29-20(17)23-12-24-21/h4-10,12H,11H2,1-3H3