ethyl 2-(2-bromanylethanoylamino)-4-(3-nitrophenyl)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-(2-bromanylethanoylamino)-4-(3-nitrophenyl)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(2-bromoacetyl)amino]-4-(3-nitrophenyl)thiazole-5-carboxylate CAS Name: 2-[(2-bromo-1-oxoethyl)amino]-4-(3-nitrophenyl)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-bromoacetyl)amino]-4-(3-nitrophenyl)-1,3-thiazole-5-carboxylate Traditional Name: 2-[(2-bromoacetyl)amino]-4-(3-nitrophenyl)thiazole-5-carboxylic acid ethyl ester Formula: C14H12BrN3O5S MolecularWeight: 414.23118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CBr)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CBr)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12BrN3O5S/c1-2-23-13(20)12-11(17-14(24-12)16-10(19)7-15)8-4-3-5-9(6-8)18(21)22/h3-6H,2,7H2,1H3,(H,16,17,19)