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

Systemtic Name: phenyl 2-[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanesulfonate Openeye Name: phenyl 2-[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]ethanesulfonate CAS Name: 2-[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]ethanesulfonate Traditional Name: 2-[4-keto-5-(p-tolyl)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=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

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

InChI

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