butyl 6-nitro-2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylate

Systemtic Name: butyl 6-nitro-2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylate Openeye Name: butyl 6-nitro-2-thioxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylate CAS Name: 6-nitro-2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylic acid butyl ester IUPAC Name: butyl 6-nitro-2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylate Traditional Name: 6-nitro-2-thioxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylic acid butyl ester Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1C2CCC(CC2SC1=S)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)N1C2CCC(CC2SC1=S)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O4S2/c1-2-3-6-18-11(15)13-9-5-4-8(14(16)17)7-10(9)20-12(13)19/h8-10H,2-7H2,1H3