6-nitro-3-(phenylcarbonyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one

Systemtic Name: 6-nitro-3-(phenylcarbonyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one Openeye Name: 3-benzoyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one CAS Name: 3-benzoyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one IUPAC Name: 3-benzoyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one Traditional Name: 3-benzoyl-6-nitro-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CC1[N+](=O)[O-])SC(=O)N2C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC2C(CC1[N+](=O)[O-])SC(=O)N2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H14N2O4S/c17-13(9-4-2-1-3-5-9)15-11-7-6-10(16(19)20)8-12(11)21-14(15)18/h1-5,10-12H,6-8H2