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

Systemtic Name: ethyl 5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-benzyl-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(3-nitrophenyl)methylthio]-4-oxo-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-benzyl-4-keto-5-methyl-2-[(3-nitrobenzyl)thio]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C24H21N3O5S2 MolecularWeight: 495.57064

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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)SCC4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CC=C3)SCC4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C24H21N3O5S2/c1-3-32-23(29)20-15(2)19-21(34-20)25-24(26(22(19)28)13-16-8-5-4-6-9-16)33-14-17-10-7-11-18(12-17)27(30)31/h4-12H,3,13-14H2,1-2H3