butyl 2-azanyl-4-bromanyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-azanyl-4-bromanyl-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-amino-4-bromo-1,3-benzothiazole-6-carboxylate CAS Name: 2-amino-4-bromo-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-amino-4-bromo-1,3-benzothiazole-6-carboxylate Traditional Name: 2-amino-4-bromo-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C12H13BrN2O2S MolecularWeight: 329.21282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C(=C1)Br)N=C(S2)N

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C(=C1)Br)N=C(S2)N

InChI

InChI=1S/C12H13BrN2O2S/c1-2-3-4-17-11(16)7-5-8(13)10-9(6-7)18-12(14)15-10/h5-6H,2-4H2,1H3,(H2,14,15)