ethyl 5-methyl-4-(2-nitrophenoxy)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-(2-nitrophenoxy)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(2-nitrophenoxy)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(2-nitrophenoxy)-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(2-nitrophenoxy)-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(2-nitrophenoxy)-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H19N3O5S2 MolecularWeight: 481.54406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)OC4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=CC=CC=C3)OC4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C23H19N3O5S2/c1-3-30-23(27)20-14(2)19-21(31-17-12-8-7-11-16(17)26(28)29)24-18(25-22(19)33-20)13-32-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3