methyl 5-(2,2-dimethylpropanoyloxy)-4-oxidanylidene-2-[3-(phenoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-6-carboxylate

Systemtic Name: methyl 5-(2,2-dimethylpropanoyloxy)-4-oxidanylidene-2-[3-(phenoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-6-carboxylate Openeye Name: methyl 5-(2,2-dimethylpropanoyloxy)-4-oxo-2-[3-(phenoxycarbonylamino)-2-thienyl]-1H-pyrimidine-6-carboxylate CAS Name: 5-(2,2-dimethyl-1-oxopropoxy)-4-oxo-2-[3-[[oxo(phenoxy)methyl]amino]-2-thiophenyl]-1H-pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-(2,2-dimethylpropanoyloxy)-4-oxo-2-[3-(phenoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-6-carboxylate Traditional Name: 2-[3-(carbophenoxyamino)-2-thienyl]-4-keto-5-pivaloyloxy-1H-pyrimidine-6-carboxylic acid methyl ester Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(NC(=NC1=O)C2=C(C=CS2)NC(=O)OC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(NC(=NC1=O)C2=C(C=CS2)NC(=O)OC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H21N3O7S/c1-22(2,3)20(28)32-15-14(19(27)30-4)24-17(25-18(15)26)16-13(10-11-33-16)23-21(29)31-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,23,29)(H,24,25,26)