butyl 6-nitro-2-sulfanylidene-1,3-benzothiazole-3-carboxylate

Systemtic Name: butyl 6-nitro-2-sulfanylidene-1,3-benzothiazole-3-carboxylate Openeye Name: butyl 6-nitro-2-thioxo-1,3-benzothiazole-3-carboxylate CAS Name: 6-nitro-2-sulfanylidene-1,3-benzothiazole-3-carboxylic acid butyl ester IUPAC Name: butyl 6-nitro-2-sulfanylidene-1,3-benzothiazole-3-carboxylate Traditional Name: 6-nitro-2-thioxo-1,3-benzothiazole-3-carboxylic acid butyl ester Formula: C12H12N2O4S2 MolecularWeight: 312.36468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=S

Isomeric SMILES

CCCCOC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=S

InChI

InChI=1S/C12H12N2O4S2/c1-2-3-6-18-11(15)13-9-5-4-8(14(16)17)7-10(9)20-12(13)19/h4-5,7H,2-3,6H2,1H3