ethyl 2-azanyl-3-prop-2-enyl-6H-1,3,4-thiadiazin-3-ium-5-carboxylate bromide

Systemtic Name: ethyl 2-azanyl-3-prop-2-enyl-6H-1,3,4-thiadiazin-3-ium-5-carboxylate bromide Openeye Name: ethyl 3-allyl-2-amino-6H-1,3,4-thiadiazin-3-ium-5-carboxylate bromide CAS Name: 2-amino-3-prop-2-enyl-6H-1,3,4-thiadiazin-3-ium-5-carboxylic acid ethyl ester bromide IUPAC Name: ethyl 2-amino-3-prop-2-enyl-6H-1,3,4-thiadiazin-3-ium-5-carboxylate bromide Traditional Name: 3-allyl-2-amino-6H-1,3,4-thiadiazin-3-ium-5-carboxylic acid ethyl ester bromide Formula: C9H14BrN3O2S MolecularWeight: 308.19536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=N[N+](=C(SC1)N)CC=C.[Br-]

Isomeric SMILES

CCOC(=O)C1=N[N+](=C(SC1)N)CC=C.[Br-]

InChI

InChI=1S/C9H13N3O2S.BrH/c1-3-5-12-9(10)15-6-7(11-12)8(13)14-4-2;/h3,10H,1,4-6H2,2H3;1H