ethyl 2-(cyanomethylsulfanyl)-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-(cyanomethylsulfanyl)-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(cyanomethylsulfanyl)-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(cyanomethylthio)-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyanomethylsulfanyl)-3-[(2-methoxyphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(cyanomethylthio)-4-keto-5-methyl-3-o-anisyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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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=C3OC)SCC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CC=C3OC)SCC#N)C

InChI

InChI=1S/C20H19N3O4S2/c1-4-27-19(25)16-12(2)15-17(29-16)22-20(28-10-9-21)23(18(15)24)11-13-7-5-6-8-14(13)26-3/h5-8H,4,10-11H2,1-3H3