3-[(2S)-1-(4-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 3-[(2S)-1-(4-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-[(1S)-2-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(2S)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 3-[(2S)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[(1S)-2-(4-ethyl-3-keto-1,4-benzoxazin-6-yl)-2-keto-1-methyl-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C21H18N3O6S- MolecularWeight: 440.44912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)COC2=C1C=C(C=C2)C(=O)C(C)N3C=NC4=C(C3=O)C(=C(S4)C(=O)[O-])C

Isomeric SMILES

CCN1C(=O)COC2=C1C=C(C=C2)C(=O)[C@H](C)N3C=NC4=C(C3=O)C(=C(S4)C(=O)[O-])C

InChI

InChI=1S/C21H19N3O6S/c1-4-23-13-7-12(5-6-14(13)30-8-15(23)25)17(26)11(3)24-9-22-19-16(20(24)27)10(2)18(31-19)21(28)29/h5-7,9,11H,4,8H2,1-3H3,(H,28,29)/p-1/t11-/m0/s1