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

Systemtic Name: ethyl 5-methyl-2-[(1S)-1-naphthalen-2-ylsulfanylethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[(1S)-1-(2-naphthylsulfanyl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(1S)-1-(2-naphthalenylthio)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(1S)-1-naphthalen-2-ylsulfanylethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(1S)-1-(2-naphthylthio)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H20N2O3S2 MolecularWeight: 424.5358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)SC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C22H20N2O3S2/c1-4-27-22(26)18-12(2)17-20(25)23-19(24-21(17)29-18)13(3)28-16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13H,4H2,1-3H3,(H,23,24,25)/t13-/m0/s1