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

Systemtic Name: ethyl 2-(cyanomethylsulfanyl)-5-methyl-4-oxidanylidene-3-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(cyanomethylsulfanyl)-5-methyl-4-oxo-3-(2-thienylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(cyanomethylthio)-5-methyl-4-oxo-3-(thiophen-2-ylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyanomethylsulfanyl)-5-methyl-4-oxo-3-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(cyanomethylthio)-4-keto-5-methyl-3-(2-thenyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H15N3O3S3 MolecularWeight: 405.5143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CS3)SCC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CS3)SCC#N)C

InChI

InChI=1S/C17H15N3O3S3/c1-3-23-16(22)13-10(2)12-14(26-13)19-17(25-8-6-18)20(15(12)21)9-11-5-4-7-24-11/h4-5,7H,3,8-9H2,1-2H3