ethyl 4-azanyl-6-methyl-2-[2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoyloxymethyl]furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-6-methyl-2-[2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoyloxymethyl]furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-6-methyl-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-6-methyl-2-[[1-oxo-2-(3-oxo-1,4-benzothiazin-4-yl)ethoxy]methyl]-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-methyl-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(3-keto-1,4-benzothiazin-4-yl)acetyl]oxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20N4O6S MolecularWeight: 456.4717

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)CN3C(=O)CSC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)CN3C(=O)CSC4=CC=CC=C43)C

InChI

InChI=1S/C21H20N4O6S/c1-3-29-21(28)17-11(2)31-20-18(17)19(22)23-14(24-20)9-30-16(27)8-25-12-6-4-5-7-13(12)32-10-15(25)26/h4-7H,3,8-10H2,1-2H3,(H2,22,23,24)