(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4)C

InChI

InChI=1S/C20H17N3O3S/c1-12-3-4-13(2)23(12)15-7-5-14(6-8-15)20(25)26-11-17-21-16-9-10-27-18(16)19(24)22-17/h3-10H,11H2,1-2H3,(H,21,22,24)