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

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)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-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)N4C=CSC4=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)N4C=CSC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c24-17-11-14(20-19-22(17)8-9-29-19)12-28-18(25)13-4-5-15(16(10-13)23(26)27)21-6-2-1-3-7-21/h4-5,8-11H,1-3,6-7,12H2