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

Systemtic Name: S-[(6-ethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)methyl] benzenecarbothioate Openeye Name: S-[(6-ethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic 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] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(6-ethyl-4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)methyl] ester Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O2S2/c1-2-17-13-18-20(28-17)23-19(14-27-22(26)15-9-5-3-6-10-15)24(21(18)25)16-11-7-4-8-12-16/h3-13H,2,14H2,1H3