ethyl 5-methyl-2-[(1S)-1-(4-nitrophenoxy)ethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-2-[(1S)-1-(4-nitrophenoxy)ethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[(1S)-1-(4-nitrophenoxy)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(1S)-1-(4-nitrophenoxy)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(1S)-1-(4-nitrophenoxy)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(1S)-1-(4-nitrophenoxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)OC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)OC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O6S/c1-4-26-18(23)14-9(2)13-16(22)19-15(20-17(13)28-14)10(3)27-12-7-5-11(6-8-12)21(24)25/h5-8,10H,4H2,1-3H3,(H,19,20,22)/t10-/m0/s1