ethyl 4-(4-chloranyl-2-nitro-phenoxy)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-(4-chloranyl-2-nitro-phenoxy)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-chloro-2-nitro-phenoxy)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-chloro-2-nitrophenoxy)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloro-2-nitrophenoxy)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H12ClN3O5S MolecularWeight: 393.80158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C16H12ClN3O5S/c1-3-24-16(21)13-8(2)12-14(18-7-19-15(12)26-13)25-11-5-4-9(17)6-10(11)20(22)23/h4-7H,3H2,1-2H3