ethyl 2,5-dimethyl-3-[(3-nitrophenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-3-[(3-nitrophenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2,5-dimethyl-3-[(3-nitrophenyl)methyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-3-[(3-nitrophenyl)methyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-3-[(3-nitrophenyl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2,5-dimethyl-3-(3-nitrobenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC(=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H17N3O5S/c1-4-26-18(23)15-10(2)14-16(27-15)19-11(3)20(17(14)22)9-12-6-5-7-13(8-12)21(24)25/h5-8H,4,9H2,1-3H3