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

Systemtic Name: ethyl 4-azanyl-6-methyl-2-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoyloxymethyl]furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-6-methyl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-6-methyl-2-[[1-oxo-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethoxy]methyl]-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-methyl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-6-methyl-2-[[2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H18N4O8S MolecularWeight: 474.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O)C

InChI

InChI=1S/C20H18N4O8S/c1-3-30-20(27)15-10(2)32-18-16(15)17(21)22-13(23-18)9-31-14(25)8-24-19(26)11-6-4-5-7-12(11)33(24,28)29/h4-7H,3,8-9H2,1-2H3,(H2,21,22,23)