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

Systemtic Name: 5-methyl-4-oxidanylidene-3-[(2R)-1-oxidanylidene-1-(3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-[(1R)-2-(4-allyl-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: 5-methyl-4-oxo-3-[(2R)-1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-oxo-3-[(2R)-1-oxo-1-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[(1R)-2-(4-allyl-3-keto-1,4-benzoxazin-6-yl)-2-keto-1-methyl-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C22H18N3O6S- MolecularWeight: 452.45982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4CC=C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)[C@H](C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4CC=C)C(=O)[O-]

InChI

InChI=1S/C22H19N3O6S/c1-4-7-24-14-8-13(5-6-15(14)31-9-16(24)26)18(27)12(3)25-10-23-20-17(21(25)28)11(2)19(32-20)22(29)30/h4-6,8,10,12H,1,7,9H2,2-3H3,(H,29,30)/p-1/t12-/m1/s1