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

Systemtic Name: ethyl 2-[(1S)-1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(1S)-1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(1S)-1-(1H-benzimidazol-2-ylthio)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1S)-1-(1H-benzimidazol-2-ylsulfanyl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1S)-1-(1H-benzimidazol-2-ylthio)ethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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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=C4N3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)SC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C19H18N4O3S2/c1-4-26-18(25)14-9(2)13-16(24)22-15(23-17(13)28-14)10(3)27-19-20-11-7-5-6-8-12(11)21-19/h5-8,10H,4H2,1-3H3,(H,20,21)(H,22,23,24)/t10-/m0/s1