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

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)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-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)N4C=CSC4=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)N4C=CSC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c23-16-10-13(19-18-21(16)7-8-28-18)11-27-17(24)12-3-4-14(15(9-12)22(25)26)20-5-1-2-6-20/h3-4,7-10H,1-2,5-6,11H2