(2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl 4-nitrobenzoate

Systemtic Name: (2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl 4-nitrobenzoate Openeye Name: (2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl ester IUPAC Name: (2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-keto-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)methyl ester Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)N(C(=O)S2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2C(C1)N(C(=O)S2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O5S/c18-14(10-5-7-11(8-6-10)17(20)21)22-9-16-12-3-1-2-4-13(12)23-15(16)19/h5-8,12-13H,1-4,9H2