ethyl 6-nitro-2-prop-2-enyl-2H-1,3-benzothiazole-3-carboxylate

Systemtic Name: ethyl 6-nitro-2-prop-2-enyl-2H-1,3-benzothiazole-3-carboxylate Openeye Name: ethyl 2-allyl-6-nitro-2H-1,3-benzothiazole-3-carboxylate CAS Name: 6-nitro-2-prop-2-enyl-2H-1,3-benzothiazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-nitro-2-prop-2-enyl-2H-1,3-benzothiazole-3-carboxylate Traditional Name: 2-allyl-6-nitro-2H-1,3-benzothiazole-3-carboxylic acid ethyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(SC2=C1C=CC(=C2)[N+](=O)[O-])CC=C

Isomeric SMILES

CCOC(=O)N1C(SC2=C1C=CC(=C2)[N+](=O)[O-])CC=C

InChI

InChI=1S/C13H14N2O4S/c1-3-5-12-14(13(16)19-4-2)10-7-6-9(15(17)18)8-11(10)20-12/h3,6-8,12H,1,4-5H2,2H3