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

Systemtic Name: ethyl 3-(furan-2-ylmethyl)-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-(2-furylmethyl)-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(2-furanylmethyl)-5-methyl-2-[(3-nitrophenyl)methylthio]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(furan-2-ylmethyl)-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-furfuryl)-4-keto-5-methyl-2-[(3-nitrobenzyl)thio]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H19N3O6S2 MolecularWeight: 485.53276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SCC4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CO3)SCC4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H19N3O6S2/c1-3-30-21(27)18-13(2)17-19(33-18)23-22(24(20(17)26)11-16-8-5-9-31-16)32-12-14-6-4-7-15(10-14)25(28)29/h4-10H,3,11-12H2,1-2H3