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

Systemtic Name: ethyl 4-(4-chloranyl-2-nitro-phenoxy)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-chloro-2-nitro-phenoxy)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-chloro-2-nitrophenoxy)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chloro-2-nitrophenoxy)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H14ClN3O5S MolecularWeight: 407.82816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O5S/c1-4-25-17(22)14-8(2)13-15(19-9(3)20-16(13)27-14)26-12-6-5-10(18)7-11(12)21(23)24/h5-7H,4H2,1-3H3