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

Systemtic Name: phenyl 2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate Openeye Name: phenyl 2-(5,6-dimethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate CAS Name: 2-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylethanesulfonate Traditional Name: 2-[(4-keto-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C22H20N2O4S3 MolecularWeight: 472.6002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCCS(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCCS(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H20N2O4S3/c1-15-16(2)30-20-19(15)21(25)24(17-9-5-3-6-10-17)22(23-20)29-13-14-31(26,27)28-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3