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

Systemtic Name: ethyl 5-methyl-2-[(1S)-1-(4-methylquinolin-2-yl)sulfanylethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[(1S)-1-[(4-methyl-2-quinolyl)sulfanyl]ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(1S)-1-[(4-methyl-2-quinolinyl)thio]ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(1S)-1-(4-methylquinolin-2-yl)sulfanylethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(1S)-1-[(4-methyl-2-quinolyl)thio]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC3=NC4=CC=CC=C4C(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)SC3=NC4=CC=CC=C4C(=C3)C)C

InChI

InChI=1S/C22H21N3O3S2/c1-5-28-22(27)18-12(3)17-20(26)24-19(25-21(17)30-18)13(4)29-16-10-11(2)14-8-6-7-9-15(14)23-16/h6-10,13H,5H2,1-4H3,(H,24,25,26)/t13-/m0/s1