(5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 3-nitro-4-phenylsulfanyl-benzoate CAS Name: 3-nitro-4-(phenylthio)benzoic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-nitro-4-phenylsulfanylbenzoate Traditional Name: 3-nitro-4-(phenylthio)benzoic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C20H13N3O5S2 MolecularWeight: 439.46432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)N4C=CSC4=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OCC3=CC(=O)N4C=CSC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H13N3O5S2/c24-18-11-14(21-20-22(18)8-9-29-20)12-28-19(25)13-6-7-17(16(10-13)23(26)27)30-15-4-2-1-3-5-15/h1-11H,12H2