phenyl 2-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanesulfonate

Systemtic Name: phenyl 2-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanesulfonate Openeye Name: phenyl 2-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanesulfonate CAS Name: 2-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)ethanesulfonate Traditional Name: 2-(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanesulfonic acid phenyl ester Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CCS(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CCS(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O4S2/c1-15-18(16-8-4-2-5-9-16)19-20(28-15)22-14-23(21(19)24)12-13-29(25,26)27-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3