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

Systemtic Name: ethyl 5-methyl-3-[2-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-3-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)C3=CC4=C(C=C3)OC(C(=O)N4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)C3=CC4=C(C=C3)OC(C(=O)N4)C)C

InChI

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