phenyl 2-[5-(3,4-dimethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanesulfonate

Systemtic Name: phenyl 2-[5-(3,4-dimethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanesulfonate Openeye Name: phenyl 2-[5-(3,4-dimethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]ethanesulfonate CAS Name: 2-[5-(3,4-dimethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[5-(3,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]ethanesulfonate Traditional Name: 2-[5-(3,4-dimethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]ethanesulfonic acid phenyl ester Formula: C22H20N2O4S2 MolecularWeight: 440.5352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCS(=O)(=O)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCS(=O)(=O)OC4=CC=CC=C4)C

InChI

InChI=1S/C22H20N2O4S2/c1-15-8-9-17(12-16(15)2)19-13-29-21-20(19)22(25)24(14-23-21)10-11-30(26,27)28-18-6-4-3-5-7-18/h3-9,12-14H,10-11H2,1-2H3