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

Systemtic Name: ethyl 2-[(1S)-1-(4-acetamidophenyl)sulfanylethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(1S)-1-(4-acetamidophenyl)sulfanylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(1S)-1-[(4-acetamidophenyl)thio]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1S)-1-(4-acetamidophenyl)sulfanylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1S)-1-[(4-acetamidophenyl)thio]ethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S2/c1-5-27-20(26)16-10(2)15-18(25)22-17(23-19(15)29-16)11(3)28-14-8-6-13(7-9-14)21-12(4)24/h6-9,11H,5H2,1-4H3,(H,21,24)(H,22,23,25)/t11-/m0/s1