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

Systemtic Name: phenyl 2-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanesulfonate Openeye Name: phenyl 2-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)ethanesulfonate CAS Name: 2-(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethanesulfonate Traditional Name: 2-(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)ethanesulfonic acid phenyl ester Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C16H16N2O4S2/c1-2-13-10-14-15(23-13)17-11-18(16(14)19)8-9-24(20,21)22-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3