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

Systemtic Name: ethyl 5-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[(E)-2-(3-nitrophenyl)vinyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(E)-2-(3-nitrophenyl)vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S/c1-3-26-18(23)15-10(2)14-16(22)19-13(20-17(14)27-15)8-7-11-5-4-6-12(9-11)21(24)25/h4-9H,3H2,1-2H3,(H,19,20,22)/b8-7+