[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C16H15BrN2O4S MolecularWeight: 411.2703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CSC(=N2)NCC=C)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CSC(=N2)NCC=C)Br

InChI

InChI=1S/C16H15BrN2O4S/c1-3-6-18-16-19-12(9-24-16)15(21)23-8-13(20)10-4-5-14(22-2)11(17)7-10/h3-5,7,9H,1,6,8H2,2H3,(H,18,19)