ethyl 5-[C-[[(3-bromophenyl)-prop-2-enyl-amino]methyl]-N-oxidanyl-carbonimidoyl]-4-methyl-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 5-[C-[[(3-bromophenyl)-prop-2-enyl-amino]methyl]-N-oxidanyl-carbonimidoyl]-4-methyl-1,3-thiazole-2-carboxylate Openeye Name: ethyl 5-[C-[(N-allyl-3-bromo-anilino)methyl]-N-hydroxy-carbonimidoyl]-4-methyl-thiazole-2-carboxylate CAS Name: 5-[2-(3-bromo-N-prop-2-enylanilino)-1-hydroxyiminoethyl]-4-methyl-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[C-[(3-bromo-N-prop-2-enylanilino)methyl]-N-hydroxycarbonimidoyl]-4-methyl-1,3-thiazole-2-carboxylate Traditional Name: 5-[2-(N-allyl-3-bromo-anilino)acetohydroximoyl]-4-methyl-thiazole-2-carboxylic acid ethyl ester Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=C(S1)C(=NO)CN(CC=C)C2=CC(=CC=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=NC(=C(S1)C(=NO)CN(CC=C)C2=CC(=CC=C2)Br)C

InChI

InChI=1S/C18H20BrN3O3S/c1-4-9-22(14-8-6-7-13(19)10-14)11-15(21-24)16-12(3)20-17(26-16)18(23)25-5-2/h4,6-8,10,24H,1,5,9,11H2,2-3H3