S-[(6-ethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)methyl] thiophene-2-carbothioate

Systemtic Name: S-[(6-ethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)methyl] thiophene-2-carbothioate Openeye Name: S-[(6-ethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)methyl] thiophene-2-carbothioate CAS Name: 2-thiophenecarbothioic acid S-[(6-ethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)methyl] ester IUPAC Name: S-[(6-ethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)methyl] thiophene-2-carbothioate Traditional Name: thiophene-2-carbothioic acid S-[(6-ethyl-4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)methyl] ester Formula: C20H16N2O2S3 MolecularWeight: 412.54824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)CSC(=O)C4=CC=CS4

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)CSC(=O)C4=CC=CS4

InChI

InChI=1S/C20H16N2O2S3/c1-2-14-11-15-18(27-14)21-17(12-26-20(24)16-9-6-10-25-16)22(19(15)23)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3